SCHEMBL12379029

SCHEMBL12379029

Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
KDR P35968 1/20 0.48
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 3/20 0.47
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CA12 O43570 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 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
SCHEMBL12379027 0.92 KDR (0.50) HTTKDRALDH1A1USP2CA1
SCHEMBL13090729 0.92 HTT (0.47) HTTHPGDKDRALDH1A1USP2
SCHEMBL1563220 0.92 KDR (0.47) HTTHPGDKDRALDH1A1USP2
SCHEMBL250123 0.90 HPGD (0.48) HTTHPGDKDRALDH1A1USP2
SCHEMBL248407 0.90 HPGD (0.49) HTTHPGDKDRALDH1A1CA1
SCHEMBL3435532 0.89 SLC22A12 (0.54) HTTCA1CA2CA9EGFR
SCHEMBL11996355 0.86 HTT (0.62) HTTALDH1A1USP2KMT2AGAA
SCHEMBL14026837 0.83 KMT2A (0.45) HTTKDRALDH1A1USP2CA1
SCHEMBL246489 0.83 CA1 (0.49) HPGDKDRALDH1A1CA1CA2
SCHEMBL249360 0.83 KDR (0.48) HTTKDRALDH1A1USP2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003681-B2 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid and methyl ester ARDEA BIOSCIENCES, INC. (US) 2011-08-23 US disclosed
US-7947721-B2 able to inhibit various mutated RTs, including K103N, Y181C and Y188L Ardes Biosciences Inc. (US) 2011-05-24 US disclosed
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2010-10-21 US disclosed
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 US disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 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-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 HTT 2504/4885HPGD 2822/4885KDR 2465/4885
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 HTT 2878/4885HPGD 1202/4885KDR 3049/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 HTT 2961/4885HPGD 1370/4885KDR 3392/4885
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, DECR1 HTT 2549/4885HPGD 2771/4885KDR 2627/4885

“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.