SCHEMBL1760832

SCHEMBL1760832

COc1ccc(CN[C@@H](CS)C(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.56
LDHA P00338 1/20 0.56
MAPK1 P28482 1/20 0.53
POLB P06746 2/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.49
MME P08473 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL1760837 1.00 ATM (0.57) ATMALDH1A1LDHAMAPK1POLB
SCHEMBL2249864 0.83 ATM (0.54) ATMALDH1A1LDHAMAPK1POLB
SCHEMBL30219090 0.82 ATM (0.53) ATMALDH1A1LDHAMAPK1POLB
SCHEMBL29213279 0.82 ATM (0.53) ATMALDH1A1LDHAMAPK1POLB
SCHEMBL29213273 0.82 ATM (0.53) ATMALDH1A1LDHAMAPK1POLB
SCHEMBL1760907 0.81 LDHA (0.53) ATMALDH1A1LDHAKMT2AMEN1
SCHEMBL1927881 0.81 LDHA (0.53) ATMALDH1A1LDHAKMT2AMEN1
SCHEMBL1760820 0.81 LDHA (0.53) ATMALDH1A1LDHAKMT2AMEN1
SCHEMBL11145580 0.78 ACE (0.47) POLBKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29538555 0.78 MC4R (0.54) ATMALDH1A1LDHA

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-7947850-B2 Process for the preparation of 3,4-disubstituted-thiazolidin-2-ones INSPIRE PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-1996192-A2 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES Inspire Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
US-20080287683-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES DECAMP JONATHAN B 2008-11-20 US disclosed
US-7414137-B2 Process for the preparation of 3,4-disubstituted-thiazolidin-2-ones INSPIRE PHARMACEUTICALS, INC. (US) 2008-08-19 US disclosed
WO-2007109786-A2 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
US-20070225504-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES INSPIRE PHARMACEUTICALS, INC. 2007-09-27 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-20070225504-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES ACTR2, ACTR5, ACTR3 ATM 3049/4885ALDH1A1 4259/4885LDHA 4800/4885
US-20080287683-A1 PROCESS FOR THE PREPARATION OF 3,4-DISUBSTITUTED-THIAZOLIDIN-2-ONES ACTR2, ACTR5, ACTR3 ATM 3049/4885ALDH1A1 4259/4885LDHA 4800/4885

“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.