SCHEMBL10029338

SCHEMBL10029338

COc1ccc2c(C(=O)O)ccc(N(Cc3ccccc3)Cc3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
DYRK1A Q13627 2/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PLA2G2A P14555 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL2747987 0.86 SMN1; SMN2 (0.50) MEN1KMT2A
SCHEMBL27889747 0.81 CFTR (0.43) TSHRKMT2A
SCHEMBL2746949 0.80 MAOB (0.48) TSHRMEN1KMT2ALMNAPLA2G2A
SCHEMBL248534 0.80 ALDH1A1 (0.42) TSHRMEN1KMT2ADYRK1APLA2G2A
SCHEMBL5753078 0.77 MAOB (0.45) TSHRMEN1KMT2ALMNAPLA2G2A
SCHEMBL250804 0.75 NR3C1 (0.48) MEN1KMT2AMTNR1AMTNR1BRXFP1
SCHEMBL28316742 0.75 LMNA (0.47) MEN1KMT2ALMNA
SCHEMBL7003535 0.74 NR3C1 (0.49) TSHRMTNR1AMTNR1BACHEMAPK1
SCHEMBL24895093 0.72 LMNA (0.55) MEN1KMT2ALMNAAKR1C3AKR1C2
SCHEMBL10390929 0.72 LMNA (0.59) LMNAAKR1C3AKR1C2TDP1

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 4 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-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-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

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-20100137590-A1 N[S(4-ARYL-TRIAZOL-3-YL)alpha-MERCAPTOACETYL] -P-AMINO BENZOIC ACIDS AS HIV REVERSE TRANSCRIPTASE INHIBITORS NQO2, NAT1, QPCT TSHR 4250/4885MEN1 4854/4885KMT2A 483/4885

“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.