SCHEMBL15860410

SCHEMBL15860410

O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)Cl)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTR2B P41595 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ IDH1 O75874 1/20 0.43

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
SCHEMBL21624591 0.86 CYP1A2 (0.52) ENPP2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15076544 0.82 LMNA (0.61) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30035806 0.82 MAPT (0.61) CYP2C19TP53RAB9ANPC1MAPT
SCHEMBL15847983 0.82 MAPT (0.61) CYP2C19TP53RAB9ANPC1MAPT
SCHEMBL15847680 0.81 RAB9A (0.49) ENPP2TP53RAB9ANPC1MAPT
SCHEMBL15860414 0.80 HTR2B (0.50) ENPP2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17457245 0.80 HTR2B (0.50) ENPP2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15847617 0.76 TP53 (0.48) ENPP2TP53RAB9ANPC1MAPT
SCHEMBL15847687 0.76 LMNA (0.55) ENPP2CYP2C19TP53RAB9ANPC1
SCHEMBL21569265 0.75 NPC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
WO-2014106019-A2 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION PHILADELPHIA HEALTH & EDUCATION CORPORATION, D/B/A DREXEL (US) 2014-07-03 — — 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 ENPP2 2685/4885CYP3A4 882/4885CYP2D6 691/4885

“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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