SCHEMBL9838345

SCHEMBL9838345

O=C(O)Cc1ccc2c(c1)CCCS2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.48
RXRB P28702 3/20 0.43
RXRA P19793 2/20 0.43
RXRG P48443 2/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL1861656 0.90 AKR1B1 (0.50) AKR1B1RXRBRXRARXRGPOLB
SCHEMBL16499627 0.80 SLC5A2 (0.44) MAPTHPGDHSD17B10LMNASLC5A2
SCHEMBL31726624 0.80 SLC5A2 (0.44) MAPTHPGDHSD17B10LMNASLC5A2
SCHEMBL16519839 0.78 SLC5A2 (0.42) MAPTHPGDLMNAMEN1ALDH1A1
SCHEMBL3838996 0.78 RXRB (0.62) AKR1B1RXRBRXRARXRGPOLB
SCHEMBL9548959 0.78 AKR1B1 (0.51) AKR1B1RXRBRXRARXRGPOLB
SCHEMBL15629940 0.77 CTSL (0.41) POLBMAPTGAATSHRMEN1
SCHEMBL5527444 0.76 RXRB (0.65) AKR1B1RXRBRXRARXRGPOLB
SCHEMBL19996854 0.76 RXRB (0.60) AKR1B1RXRBRXRARXRGPOLB
SCHEMBL25569782 0.76 AKR1B1 (0.36) AKR1B1POLBMAPTHPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084784-B2 ROR-gamma modulators and uses thereof Piramal Enterprises Limited (IN) 2021-08-10 US disclosed
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2018-08-02 US disclosed
EP-3122721-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2017-02-01 EP disclosed
WO-2015145371-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-01 WO disclosed
US-4994450-A Side effect reduction DR. LO. ZAMBELETTI S.P.A. (IT) 1991-02-19 US disclosed
EP-0333315-A1 Azacyclic compounds, processes for their preparation and their pharmaceutical use Dr. Lo. Zambeletti S.p.A. (IT) 1989-09-20 EP 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 (2 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-11084784-B2 ROR-gamma modulators and uses thereof RORB, RORA, RORC AKR1B1 317/4885RXRB 33/4885RXRA 50/4885
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF RORB, RORA, RORC AKR1B1 317/4885RXRB 33/4885RXRA 50/4885

“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.