SCHEMBL2001537

SCHEMBL2001537

Cn1c(C(=O)O)cc2cc(O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ MCL1 Q07820 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ GPR35 Q9HC97 1/20 0.64
▸ CLK1 P49759 1/20 0.63
▸ DYRK1A Q13627 1/20 0.63
▸ DYRK1B Q9Y463 1/20 0.63
▸ SRD5A2 P31213 2/20 0.57
▸ GFER P55789 2/20 0.54
▸ ABCB11 O95342 2/20 0.49
▸ CCR2 P41597 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SRD5A1 P18405 1/20 0.47
▸ THRB P10828 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PLA2G4A P47712 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL10084910 0.86 CLK1 (0.63) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL3061835 0.86 MCL1 (0.64) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL6086802 0.84 CLK1 (0.61) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL30547707 0.82 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5599830 0.82 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5889548 0.82 KDM4E (0.68) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL18067891 0.81 L3MBTL1 (0.72) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL5509362 0.81 CLK1 (0.58) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL986506 0.81 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDMCL1
SCHEMBL6969376 0.81 HSD17B10 (0.66) HSD17B10KDM4EALDH1A1HPGDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 — — CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-7070936-B1 Method for designing protein kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-07-04 — — 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 HSD17B10 1370/4885KDM4E 2243/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HSD17B10 548/4885KDM4E 2232/4885ALDH1A1 178/4885

“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.

Send feedback