SCHEMBL13879734

SCHEMBL13879734

CNc1nc(C(F)(F)F)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 4/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ HPGD P15428 4/20 0.37
▸ ATM Q13315 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CYP1A2 P05177 2/20 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
SCHEMBL21752365 0.81 IDH1 (0.45) NLRP3HSP90AA1HSP90AB1HTTLMNA
SCHEMBL10280708 0.78 MAT2A (0.40) MAT2AHPGDATML3MBTL1HSP90AA1
SCHEMBL26896914 0.78 NLRP3 (0.39) MAT2ANLRP3HPGDATMHSP90AA1
SCHEMBL17973813 0.76 MAT2A (0.39) MAT2AHPGDATML3MBTL1ALDH1A1
SCHEMBL16647839 0.76 MAT2A (0.42) MAT2AHPGDALDH1A1MAPTMEN1
SCHEMBL21866341 0.74 HSP90AA1 (0.44) MAT2AHPGDATML3MBTL1HSP90AA1
SCHEMBL1374997 0.74 MAT2A (0.38) MAT2AHPGDATML3MBTL1KDM4E
SCHEMBL1375440 0.74 MAT2A (0.41) MAT2AHPGDALDH1A1CYP2C19MAPT
SCHEMBL1584056 0.74 NOS3 (0.44) HSP90AA1HSP90AB1KDM4EPTGS2LMNA
SCHEMBL19155972 0.72 LMNA (0.36) ATMHSP90AA1HSP90AB1KDM4EHTT

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
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 — — EP 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 (2 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAT2A 1621/4885NLRP3 273/4885HPGD 779/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH MAT2A 4379/4885NLRP3 592/4885HPGD 965/4885

“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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