SCHEMBL141636

SCHEMBL141636

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC(O)[C@]2(O)C(=O)CO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.73
NR3C2 P08235 8/20 0.73
SERPINA6 P08185 5/20 0.73
NR3C1 P04150 3/20 0.73
HSD17B10 Q99714 3/20 0.73
PGR P06401 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
SHBG P04278 3/20 0.73
CYP2C19 P33261 2/20 0.73
CYP3A4 P08684 2/20 0.73
MAPT P10636 2/20 0.73
NFKB1 P19838 2/20 0.73
KMT2A Q03164 2/20 0.73
LMNA P02545 4/20 0.62
BLM P54132 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
SLC22A3 O75751 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8712243 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL27991637 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL141635 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL147438 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10597610 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10062395 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL11641738 0.91 HIF1A (0.64) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10597597 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL11641729 0.91 HIF1A (0.64) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL3649005 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US claimed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US claimed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP claimed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 US claimed
US-11576907-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2023-02-14 US disclosed
US-20220151955-A1 KETAMINE FOR THE TREATMENT OF POSTPARTUM SYMPTOMS AND DISORDERS THE KETAMINE RESEARCH FOUNDATION 2022-05-19 US disclosed
EP-3851107-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics Incorporated (US) 2021-07-21 EP disclosed
US-20210169872-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2021-06-10 US disclosed
US-20210113493-A1 KETAMINE FOR THE TREATMENT OF MENSTRUALLY RELATED SYMPTOMS WOLFSON PHILIP E (US) 2021-04-22 US disclosed
US-10456392-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-9956216-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170273972-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2017-09-28 US disclosed
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders COMBINATORX, INCORPORATED 2005-08-25 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
US-20050112199-A1 Therapeutic regimens for administering drug combinations COMBINATORX, INCORPORATED 2005-05-26 US disclosed
US-4181669-A A CARBODIIMIDE WITH ACID CATALYSTS AS A CONDENSATION AGENT AKTIEBOLAGET LEO (SE) 1980-01-01 US disclosed
US-4180504-A Method for the preparation of esters AKTIEBOLAGET LEO (SE) 1979-12-25 US disclosed
US-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 US disclosed
US-3971772-A ANTINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-07-27 US disclosed
US-3971773-A Steroidal 9,11-dihalo-[16α,17-b]1,4-dioxanes E. R. SQUIBB & SONS, INC. (US) 1976-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210169872-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 HIF1A 4646/4885NR3C2 2/4885SERPINA6 84/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP HIF1A 1602/4885NR3C2 796/4885SERPINA6 12/4885
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S HIF1A 2333/4885NR3C2 59/4885SERPINA6 5/4885
US-20170273972-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 HIF1A 4646/4885NR3C2 2/4885SERPINA6 84/4885
US-11576907-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators NR3C1, NR3C2, NR5A1 HIF1A 4646/4885NR3C2 2/4885SERPINA6 84/4885
US-20220151955-A1 KETAMINE FOR THE TREATMENT OF POSTPARTUM SYMPTOMS AND DISORDERS OXTR, PNISR, KCNQ5 HIF1A 1138/4885NR3C2 648/4885SERPINA6 2228/4885
US-10456392-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators NR3C1, NR3C2, NR5A1 HIF1A 4646/4885NR3C2 2/4885SERPINA6 84/4885
US-20210113493-A1 KETAMINE FOR THE TREATMENT OF MENSTRUALLY RELATED SYMPTOMS KCNK5, KCNQ5, KCND2 HIF1A 563/4885NR3C2 1213/4885SERPINA6 1674/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP HIF1A 1602/4885NR3C2 796/4885SERPINA6 12/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP HIF1A 1602/4885NR3C2 796/4885SERPINA6 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.