SCHEMBL3583102

SCHEMBL3583102

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c(C(=O)O)c2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TPMT P51580 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
CPT1A P50416 2/20 0.32
CPT2 P23786 1/20 0.32
CPT1B Q92523 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL3583557 0.86 ACLY (0.35) TPMTKMT2AMEN1ALDH1A1GPR35
SCHEMBL3579591 0.84 MEN1 (0.43) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL3582909 0.81 ACLY (0.35) TPMTKMT2AMEN1ALDH1A1GAA
SCHEMBL3575238 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30039524 0.74 TUBB4A (0.54) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5662948 0.73 PTGS2 (0.39) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4551243 0.73 MAP2 (0.38) POLBFEN1CA1CA2
SCHEMBL4551399 0.73 TUBB4A (0.42) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL3589677 0.73 MEN1 (0.39) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL3577652 0.73 BRD4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP disclosed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E SLC1A3 3898/4885SLC1A2 4133/4885SLC1A1 3414/4885

“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.