SCHEMBL1706757

SCHEMBL1706757

COC(=O)c1c(Cl)cc(C(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.53
TTR P02766 1/20 0.52
TSHR P16473 2/20 0.45
PLAU P00749 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 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
SCHEMBL793616 0.88 TPMT (0.46) TPMTTTRTSHRPLAUKDM4E
SCHEMBL522606 0.88 CA1 (0.54) TPMTTSHRCA12CA1CA2
SCHEMBL10130179 0.84 ALDH1A1 (0.45) TSHRCA12CA1CA2CA7
SCHEMBL2964558 0.84 KDM4E (0.50) TPMTTTRTSHRCA12CA1
SCHEMBL1707772 0.82 HTT (0.46) TSHRCA12CA1CA2CA7
SCHEMBL5542753 0.81 KMT2A (0.53) TSHRCA12CA1CA2CA7
SCHEMBL14060255 0.81 HPGD (0.58) TSHRCA12CA1CA2CA7
SCHEMBL14062035 0.79 CYP2C9 (0.51) TPMTTTRPLAUCA12CA1
SCHEMBL10129753 0.79 TSHR (0.47) TSHRCA12CA1CA2CA7
SCHEMBL5786874 0.79 CYP3A4 (0.55) TSHRCA12CA1CA2CA7

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 EP disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 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-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
CN-1274670-C Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2006-09-13 CN 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
CN-1323291-A Diaminopropionic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN disclosed
WO-2001058853-A1 DEHYDROAMINO ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 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 (4 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 TPMT 1968/4885TTR 3552/4885TSHR 3073/4885
US-20020161237-A1 Dehydroamino acids HSD3B1, CYP8B1, TH TPMT 33/4885TTR 2983/4885TSHR 1248/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TPMT 1968/4885TTR 3552/4885TSHR 3073/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 TPMT 1782/4885TTR 4578/4885TSHR 2665/4885

“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.