SCHEMBL7150327

SCHEMBL7150327

O=C(O)c1ccccc1C(=O)NCCS

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
APEX1 P27695 1/20 0.61
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HTT P42858 3/20 0.53
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 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
SCHEMBL30508514 1.00 KMT2A (0.61) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL9518417 0.89 HTT (0.59) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL10889755 0.88 KMT2A (0.69) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL9516588 0.84 TSHR (0.51) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL12308186 0.83 HTT (0.58) KMT2AHTTTSHRALDH1A1MAPK1
SCHEMBL9695573 0.83 HTT (0.63) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL5849754 0.83 HTT (0.63) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL10158103 0.81 HTT (0.68) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL30525000 0.81 KMT2A (0.61) KMT2AAPEX1LMNAMAPTKDM4E
SCHEMBL28313686 0.81 KMT2A (0.61) KMT2AAPEX1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465342-B1 REDUCING COSMETIC COMPOSITION FOR PERMING CONTAINING A DERIVATIVE OF A N-(MERCAPTO-ALKYL)SUCCINAMIC ACID OR A N-(MERCAPTO-ALKYL)SUCCINIMID AND ITS USE IN A PROCESS FOR PERMANENT HAIR SHAPING L'OREAL (FR) 1993-09-29 EP claimed
US-6534659-B2 Amidation of an acid anhydride by a compound comprising a nitrogen/sulfur saturated ring, e.g., thiazolidine; odorless corrosion inhibitors for metal; pollution control NIPPON SHOKUBAI CO., LTD. (JP) 2003-03-18 US disclosed
US-20010047096-A1 Amidation of an acid anhydride by a compound comprising a nitrogen/sulfur saturated ring, e.g., thiazolidine; odorless corrosion inhibitors for metal; pollution control NIPPON SHOKUBAI CO., LTD. (JP) 2001-11-29 US disclosed
EP-1149833-A1 Sulfidoamidocarboxylic acids used as corrosion inhibitors Nippon Shokubai Co., Ltd. (JP) 2001-10-31 EP disclosed
US-5154918-A COSMETIC COMPOSITION FOR USE IN PERMANENT DEFORMATION OF HAIR CONTAINS AS A REDUCING AGENT A DERIVATIVE OF N-(MERCAPTO ALKYL) SUCCINAMIC ACID OR OF N-(MERCAPTO ALKYL) SUCCINIMIDE L'OREAL (FR) 1992-10-13 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 (1 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-20010047096-A1 Amidation of an acid anhydride by a compound comprising a nitrogen/sulfur saturated ring, e.g., thiazolidine; odorless corrosion inhibitors for metal; pollution control CTH, TST, SLC7A11 KMT2A 1498/4885APEX1 2334/4885LMNA 4826/4885

“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.