SCHEMBL3586731

SCHEMBL3586731

Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
FFAR2 O15552 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35

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
SCHEMBL3587819 0.93 CRHBP (0.37) HTR6PTGDR2FFAR2TUBB4ATUBB
SCHEMBL3585374 0.92 NR3C1 (0.38) PTGDR2FFAR2NR3C1PGRNR3C2
SCHEMBL3578045 0.90 PTGDR2 (0.35) PTGDR2NR3C1PGRNR3C2AR
SCHEMBL3586265 0.89 HTR6 (0.39) HTR6FFAR2ALDH1A1HPGDRIPK1
SCHEMBL3589589 0.89 MAP2 (0.35) PTGDR2NR3C1PGRNR3C2AR
SCHEMBL3581282 0.89 NR3C1 (0.35) PTGDR2NR3C1PGRNR3C2AR
SCHEMBL3587000 0.88 MEN1 (0.40) HTR6FFAR2ALDH1A1HPGD
SCHEMBL3589851 0.86 CRHBP (0.39) HTR6PTGDR2FFAR2TUBB4ATUBB
SCHEMBL3588435 0.83 KMT2A (0.36) PTGDR2ALDH1A1MAP2RIPK1
SCHEMBL3581876 0.83 NR1H2 (0.41) PTGDR2HAO1HPGD

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 2 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
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 HTR6 4672/4885PTGDR2 3924/4885FFAR2 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.