SCHEMBL3578045

SCHEMBL3578045

Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.35
MAP2 P11137 3/20 0.33
HAO1 Q9UJM8 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
RIPK1 Q13546 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MDM2 Q00987 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
RORC P51449 1/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL3589589 0.95 MAP2 (0.35) PTGDR2MAP2HAO1NR3C1PGR
SCHEMBL3588435 0.91 KMT2A (0.36) PTGDR2MAP2RIPK1
SCHEMBL3581282 0.91 NR3C1 (0.35) PTGDR2MAP2HAO1NR3C1PGR
SCHEMBL3586731 0.90 HTR6 (0.37) PTGDR2MAP2HAO1NR3C1PGR
SCHEMBL3585374 0.89 NR3C1 (0.38) PTGDR2MAP2HAO1NR3C1PGR
SCHEMBL3580259 0.88 MEN1 (0.39) PTGDR2MAP2
SCHEMBL3586766 0.86 KMT2A (0.38) PTGDR2MAP2RIPK1
SCHEMBL3579793 0.86 CRHBP (0.40) PTGDR2MAP2HAO1CRHBPCRHR2
SCHEMBL3588250 0.86 ATM (0.42)
SCHEMBL3587819 0.83 CRHBP (0.37) PTGDR2MAP2HAO1CRHBPCRHR2

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 PTGDR2 3924/4885MAP2 3543/4885HAO1 2671/4885

“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.