SCHEMBL3579136

SCHEMBL3579136

CC(C)c1c(C(=O)N(C)Cc2ccc(Cl)cc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.34
CNR1 P21554 2/20 0.33
FFAR2 O15552 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
LIPE Q05469 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3574231 0.91 CRHBP (0.40) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3578424 0.89 LIPE (0.42) LIPESMN1; SMN2MEN1KMT2AATM
SCHEMBL3585374 0.89 NR3C1 (0.38) MAP2FFAR2NR3C1PGRNR3C2
SCHEMBL3585214 0.87 FFAR2 (0.34) MAP2FFAR2LIPENPSR1MEN1
SCHEMBL3592689 0.84 NAMPT (0.34) MAP2FFAR2LIPEPTGDR2MEN1
SCHEMBL3587755 0.83 FFAR2 (0.33) FFAR2PTGDR2
SCHEMBL3582278 0.82 LIMK2 (0.40) LIPEHPGDMEN1KMT2ALIMK2
SCHEMBL3586340 0.82 NAMPT (0.35) MAP2FFAR2SMN1; SMN2PTGDR2MEN1
SCHEMBL3586571 0.81 FFAR2 (0.33) FFAR2LIPELIMK2
SCHEMBL3579005 0.81 FFAR2 (0.36) FFAR2

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 4 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 claimed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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 (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 MAP2 3543/4885CNR1 4351/4885FFAR2 4589/4885

“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.