SCHEMBL983707

SCHEMBL983707

Cc1cc(C(=O)O)cc(Cl)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.72
TPMT P51580 3/20 0.50
TSHR P16473 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 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
SCHEMBL737305 0.84 TTR (1.00) TTRTPMTTSHRCA12CA1
SCHEMBL348297 0.84 CA1 (0.56) TTRTPMTCA12CA1CA2
SCHEMBL2716447 0.83 TTR (0.48) TTRTSHRCA1CA2ALDH1A1
Bromide SCHEMBL28853691 0.82 TTR (0.95) TTRTPMTTSHRCA12CA1
SCHEMBL28766413 0.82 CA1 (0.54) TTRTPMTTSHRCA12CA1
SCHEMBL27690857 0.82 CA1 (0.54) TTRTPMTTSHRCA12CA1
SCHEMBL10300670 0.81 TTR (0.56) TTRTPMTTSHRCA12CA1
SCHEMBL27998994 0.80 CA1 (0.52) TTRTPMTTSHRCA12CA1
SCHEMBL401708 0.79 KDM4E (0.55) TTRTPMTCA12CA1CA2
SCHEMBL17732583 0.79 TTR (0.44) TTRALDH1A1HSD17B10KDM4ELMNA

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
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-7855192-B2 Macrolactams by engineered biosynthesis KOSAN BIOSCIENCES, INC. (US) 2010-12-21 US disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-6515124-B2 (Z)-2-((2-bromo-4-(((3-hydroxybenzyl)amino)carbonyl)benzoyl) -amino)pent-2-enoic acid, for example; useful for treating psoriasis HOFFMAN-LA ROCHE INC. 2003-02-04 US disclosed
EP-1261579-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20020161237-A1 Dehydroamino acids HOFFMANN-LA ROCHE INC. 2002-10-31 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 WO disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 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 (6 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-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH TTR 2983/4885TPMT 33/4885TSHR 1248/4885
US-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A TTR 4613/4885TPMT 1819/4885TSHR 2834/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A TTR 4613/4885TPMT 1819/4885TSHR 2834/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 TTR 4578/4885TPMT 1782/4885TSHR 2665/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 TTR 4578/4885TPMT 1782/4885TSHR 2665/4885
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer HSP90AB2P, HSP90AB1, HSPA1B TTR 3969/4885TPMT 2612/4885TSHR 4191/4885

“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.