SCHEMBL148901

SCHEMBL148901

Cc1nccc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.44
SORT1 Q99523 4/20 0.42
KMO O15229 3/20 0.41
TACR1 P25103 2/20 0.40
DHODH Q02127 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ASPH Q12797 2/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM8 Q8N371 1/20 0.37
ALKBH2 Q6NS38 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36
FTO Q9C0B1 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 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
SCHEMBL3759587 0.84 AAK1 (0.38) AAK1SORT1KMOTACR1KDM4E
SCHEMBL7411662 0.81 NOTUM (0.42) AAK1SORT1TACR1KDM4EHTT
SCHEMBL1699267 0.80 NAPRT (0.43) SORT1KMOASPHKDM4EKDM8
SCHEMBL14907699 0.79 KMO (0.41) SORT1KMOASPHKDM4EKDM8
SCHEMBL30613704 0.79 KMO (0.43) SORT1KMOASPHKDM4EKDM8
SCHEMBL15880100 0.79 HSD17B10 (0.43) SORT1KMOASPHKDM4EKDM8
SCHEMBL3540937 0.79 KMO (0.43) SORT1KMOASPHKDM4EKDM8
SCHEMBL23012638 0.78 SLC22A12 (0.39) AAK1SORT1KMOASPH
SCHEMBL31214548 0.78 MAPT (0.40) SORT1KMODHODHHDAC6ASPH
SCHEMBL29488309 0.78 SLC22A12 (0.39) AAK1SORT1KMOASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349694-B Synthetic method of 4-trifluoromethyl nicotinic acid 淮北龙溪生物科技有限公司 2022-11-08 CN disclosed
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-09-15 US disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 CN disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 WO disclosed
US-8481749-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamides and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-07-09 US disclosed
US-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (US) 2012-03-08 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 (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-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES ZYX, NAT1, CYCS AAK1 2457/4885SORT1 4846/4885KMO 277/4885
US-20220289685-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR AAK1 2957/4885SORT1 4203/4885KMO 1895/4885

“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.