SCHEMBL15093582

SCHEMBL15093582

Cc1cc(O)c2ccc(S(C)(=O)=O)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ PRMT1 Q99873 2/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ LMNA P02545 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
SCHEMBL27363586 0.78 ENPP2 (0.41) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL8035315 0.77 HSD17B1 (0.54) CASP6ENPP2CYP1A2CYP2C9RAPGEF4
SCHEMBL7740699 0.77 TRPA1 (0.54) CYP1A2LMNA
SCHEMBL30277939 0.77 TRPA1 (0.54) CYP1A2LMNA
SCHEMBL15180637 0.76 CASP6 (0.66) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL12267631 0.74 CYP2A6 (0.56) AKR1C3AKR1C2CYP1A2PTGS2LMNA
SCHEMBL10014033 0.72 PRMT1 (0.84) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL15093931 0.72 ENPP2 (0.39) SIRT1ENPP2AKR1C3AKR1C2CYP1A2
SCHEMBL29462031 0.72 CASP6 (0.77) NSD2DUSP3PTPN5CASP6PTPN11
SCHEMBL465086 0.72 CASP6 (0.77) NSD2DUSP3PTPN5CASP6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 — — US disclosed
US-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 — — WO disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 — — 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA NSD2 1467/4885DUSP3 1083/4885PTPN5 3703/4885

“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.

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