SCHEMBL17789150

SCHEMBL17789150

Cc1cccc(Nc2ccccc2C(=O)OCC(F)(F)CN)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ PTGS2 P35354 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ AKR1C3 P42330 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ DHFR P00374 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ NAPRT Q6XQN6 1/20 0.53

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
SCHEMBL21128675 0.86 LMNA (0.51) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL22017568 0.86 LMNA (0.51) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL17792625 0.84 PTGS2 (0.48) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL17789149 0.82 PTGS2 (0.46) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL11344390 0.77 PTGS2 (0.71) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL30593451 0.77 PTGS2 (0.71) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL11520899 0.76 LMNA (0.58) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL9797153 0.75 MEN1 (0.57) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL29481378 0.73 CHRM1 (0.54) LMNAPTGS2MEN1CYP3A4KMT2A
SCHEMBL10504416 0.73 LMNA (0.54) LMNAPTGS2MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023108-B1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU KOGYO CO LTD (JP) 2021-04-07 — — EP disclosed
US-20160151506-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2016-06-02 — — US disclosed
US-20160151506-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2016-06-02 — — 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-20160151506-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME CSGALNACT1, CD44, GUSB LMNA 2311/4885PTGS2 366/4885MEN1 3596/4885

“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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