SCHEMBL2591124

SCHEMBL2591124

COc1cccc(-c2csc(C=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
ERN1 O75460 1/20 0.50
BRD4 O60885 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46

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
SCHEMBL6451713 0.81 MAPT (0.51) ALDH1A1ERN1CYP2A6MAPTDYRK1A
Ammonia Solution, Strong SCHEMBL27960505 0.78 CYP3A4 (0.70) ALDH1A1BRD4HDAC4HDAC8CYP1A1
SCHEMBL1180286 0.78 HSD17B1 (0.56) ALDH1A1HSD17B1HSD17B2HDAC4HDAC8
SCHEMBL2319480 0.78 PGR (0.46) ALDH1A1CYP2A6MAPTHSD17B10CLK4
SCHEMBL1981372 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B1HSD17B2HDAC4HDAC8
SCHEMBL29489425 0.76 CYP3A4 (0.73) ALDH1A1BRD4HDAC4HDAC8CYP1A1
SCHEMBL196765 0.76 CYP3A4 (0.73) ALDH1A1BRD4HDAC4HDAC8CYP1A1
SCHEMBL12177801 0.76 HDAC6 (0.55) ALDH1A1HSD17B1HSD17B2ERN1CYP1A1
SCHEMBL2591901 0.76 ERN1 (0.55) ALDH1A1ERN1BRD4HDAC4HDAC8
SCHEMBL17410071 0.76 LTA4H (0.51) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 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 (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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 ALDH1A1 263/4885HSD17B1 2006/4885HSD17B2 2347/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 ALDH1A1 263/4885HSD17B1 2006/4885HSD17B2 2347/4885

“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.