SCHEMBL15860414

SCHEMBL15860414

CC(C)[C@@H](C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.50
▸ MAPT P10636 7/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ TP53 P04637 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ LMNA P02545 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL17457245 1.00 HTR2B (0.50) HTR2BMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL17457263 0.86 MAPT (0.59) HTR2BMAPTTP53MEN1KMT2A
SCHEMBL15860400 0.86 MAPT (0.59) HTR2BMAPTTP53MEN1KMT2A
SCHEMBL20033761 0.84 HTR2B (0.47) HTR2BMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL17457269 0.81 HTR2B (0.55) HTR2BMAPTTP53MEN1KMT2A
SCHEMBL15860407 0.81 HTR2B (0.55) HTR2BMAPTTP53MEN1KMT2A
SCHEMBL15860410 0.80 ENPP2 (0.51) HTR2BMAPTCYP3A4CYP2D6CYP2C9
SCHEMBL15860381 0.80 HTR2B (0.54) HTR2BMAPTCYP2C19ENPP2TP53
SCHEMBL17457292 0.80 HTR2B (0.54) HTR2BMAPTCYP2C19ENPP2TP53
SCHEMBL17457276 0.78 HTR2B (0.53) HTR2BMAPTTP53RAB9ANPC1

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-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-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
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 HTR2B 3280/4885MAPT 4494/4885CYP3A4 882/4885

“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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