SCHEMBL3766770

SCHEMBL3766770

CC(C)(O)C(C)(C)OB(O)c1cccc(CC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR1H4 Q96RI1 2/20 0.40
AKR1B1 P15121 1/20 0.39
SLC22A12 Q96S37 1/20 0.36
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PLA2G4B P0C869 1/20 0.34
FABP4 P15090 1/20 0.34
ENPP2 Q13822 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17315637 0.84 RXRA (0.42) NR1H4AKR1B1GAATSHRNFKB1
SCHEMBL2316194 0.83 PRSS1 (0.39) ENPP2LMNA
SCHEMBL6698475 0.83 ENPP2 (0.53) TSHRENPP2
SCHEMBL3036815 0.82 ENPP2 (0.39) NFKB1ALDH1A1ENPP2
SCHEMBL3135413 0.82 ENPP2 (0.37) ENPP2
SCHEMBL1017720 0.80 HTR7 (0.39) GAATSHRALDH1A1ENPP2LMNA
SCHEMBL13571463 0.79 RXRA (0.40) CYP1A2NFKB1AKR1C3RXRARXRB
Hydrochloric Acid SCHEMBL3324202 0.78 HTR7 (0.38) GAATSHRALDH1A1ENPP2LMNA
SCHEMBL16397294 0.78 GLS (0.44)
SCHEMBL15192320 0.77 ATM (0.46) CYP1A2CYP2C19TDP1PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-20140221374-A1 RAF KINASE INHIBITORS RUGA CORPORATION (US) 2014-08-07 US disclosed
EP-2686317-A2 RAF KINASE INHIBITORS Selexagen Therapeutics, Inc. (US) 2014-01-22 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
WO-2012125981-A2 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2012-09-20 WO disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO 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 (3 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-20140221374-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP1A2 4189/4885CYP2C19 4327/4885NR1H4 2441/4885
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT CYP1A2 4767/4885CYP2C19 4860/4885NR1H4 3471/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CYP1A2 3200/4885CYP2C19 1473/4885NR1H4 3955/4885

“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.