SCHEMBL3962601

SCHEMBL3962601

O=C(N[C@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
ITGB3 P05106 6/20 0.54
ITGA2B P08514 6/20 0.54
TACR1 P25103 2/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
PPARA Q07869 2/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50

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
SCHEMBL17294499 0.88 CA2 (0.57) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL7443764 0.88 FPR2 (0.60) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL7443759 0.88 FPR2 (0.60) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL2980542 0.87 PPARA (0.57) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL2980537 0.87 PPARA (0.57) TYRITGB3ITGA2BTACR1CTSL
Hypochlorous Acid SCHEMBL7368156 0.85 TACR1 (0.65) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL7372270 0.85 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL479010 0.85 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL220648 0.85 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTSL
SCHEMBL219151 0.85 TACR1 (0.68) TYRITGB3ITGA2BTACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS TYR 212/4885ITGB3 2247/4885ITGA2B 2715/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 TYR 308/4885ITGB3 1868/4885ITGA2B 2315/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS TYR 376/4885ITGB3 1400/4885ITGA2B 1858/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 TYR 308/4885ITGB3 1868/4885ITGA2B 2315/4885

“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.