SCHEMBL10029329

SCHEMBL10029329

Cc1cc(C(=O)O)ccc1NC(=O)CS

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 2/20 0.48
SELL P14151 2/20 0.48
SELP P16109 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.46
SELE P16581 1/20 0.46
RAB9A P51151 2/20 0.45
JAK2 O60674 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL22411255 0.85 MEN1 (0.56) MEN1KMT2ATP53THRBATM
SCHEMBL30873828 0.85 MEN1 (0.56) MEN1KMT2ATP53THRBATM
SCHEMBL10029200 0.84 ALDH1A1 (0.69) MEN1KMT2ATP53THRBATM
SCHEMBL2558174 0.84 MEN1 (0.56) MEN1KMT2ATP53THRBATM
SCHEMBL6699180 0.83 KDM4E (0.59) MEN1KMT2ATP53THRBATM
SCHEMBL5805432 0.81 KMT2A (0.77) MEN1KMT2ATP53THRBALDH1A1
SCHEMBL13393780 0.81 PDK1 (0.52) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10584504 0.80 POLB (0.57) MEN1KMT2ATP53THRBSELL
SCHEMBL13569458 0.80 KMT2A (0.54) MEN1KMT2ATP53THRBALDH1A1
SCHEMBL3437393 0.80 MEN1 (0.54) MEN1KMT2ATP53THRBALDH1A1

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
US-8106205-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-20100137590-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
US-7683087-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl] -p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-03-23 US disclosed
US-20080319201-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC., A CALIFORNIA CORPORATION (US) 2008-12-25 US disclosed
US-7435752-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benozioc acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-10-14 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-20100137590-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS NQO2, NAT1, QPCT MEN1 4854/4885KMT2A 483/4885TP53 2908/4885
US-20080319201-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS NQO2, NAT1, QPCT MEN1 4854/4885KMT2A 483/4885TP53 2908/4885

“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.