SCHEMBL21643614

SCHEMBL21643614

Nc1ccc(CC(F)(F)F)cc1C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MIF P14174 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ PTGER3 P43115 7/20 0.38
▸ PTGER2 P43116 5/20 0.38
▸ PTGDR Q13258 4/20 0.38
▸ PTGER4 P35408 4/20 0.38
▸ TBXA2R P21731 3/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ PTGIR P43119 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP6 P55212 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
SCHEMBL14148738 0.81 EGFR (0.69) EGFRNPSR1MIFMETAP2PTGER3
SCHEMBL8125134 0.80 EGFR (0.50) EGFRNPSR1MIFMETAP2PTGER3
SCHEMBL8125136 0.80 EGFR (0.50) EGFRNPSR1MIFMETAP2PTGER3
SCHEMBL3708005 0.77 ALDH1A1 (0.50) NPSR1MIFCA1CA2NFKB1
SCHEMBL3708007 0.77 ALDH1A1 (0.50) NPSR1MIFCA1CA2NFKB1
SCHEMBL18046005 0.76 TDO2 (0.55) EGFRNPSR1MIFMETAP2CA1
SCHEMBL15866178 0.76 TDO2 (0.55) EGFRNPSR1MIFMETAP2CA1
SCHEMBL21643613 0.75 MIF (0.38) EGFRNPSR1MIFMETAP2PTGER3
SCHEMBL27616680 0.74 HCAR2 (0.53) ESR1CA1CA2NFKB1CA4
SCHEMBL27616679 0.74 HCAR2 (0.53) ESR1CA1CA2NFKB1CA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-02-06 — — 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-20200039972-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 EGFR 438/4885NPSR1 3659/4885MIF 4303/4885

“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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