SCHEMBL4955697

SCHEMBL4955697

CCC(=O)NC(CSC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.42
CYP2C9 P11712 1/20 0.42
FOLH1 Q04609 6/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.41
RIMKLA Q8IXN7 1/20 0.41
PIN1 Q13526 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4907662 0.88 ITGB1 (0.45) NOD1CYP2C9FOLH1NAALAD2RIMKLA
SCHEMBL4956322 0.84 NOD1 (0.51) NOD1FOLH1NAALAD2RIMKLA
SCHEMBL4953665 0.84 NOD1 (0.40) NOD1CYP2C9PIN1CA2CA4
SCHEMBL4952262 0.83 FOLH1 (0.41) NOD1FOLH1NAALAD2RIMKLALMNA
SCHEMBL10656676 0.82 CA2 (0.40) NOD1CYP2C9FOLH1NAALAD2RIMKLA
SCHEMBL10656672 0.82 CA2 (0.40) NOD1CYP2C9FOLH1NAALAD2RIMKLA
SCHEMBL302958 0.82 LMNA (0.53) FOLH1CA2LMNAALDH1A1MAPK1
SCHEMBL302957 0.82 LMNA (0.53) FOLH1CA2LMNAALDH1A1MAPK1
SCHEMBL987347 0.82 LMNA (0.53) FOLH1CA2LMNAALDH1A1MAPK1
SCHEMBL19506668 0.82 KDM4E (0.44) NOD1FOLH1NAALAD2RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188733-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-11-06 EP disclosed
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2016-04-07 US disclosed
WO-2016036794-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. (US) 2016-03-10 WO disclosed
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO disclosed
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 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 (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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 NOD1 3692/4885CYP2C9 1149/4885FOLH1 1682/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 NOD1 3233/4885CYP2C9 3402/4885FOLH1 2075/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 NOD1 10/4885CYP2C9 2829/4885FOLH1 4314/4885
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS PCNA, EPCAM, MKI67 NOD1 4271/4885CYP2C9 3583/4885FOLH1 233/4885

“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.