SCHEMBL4035565

SCHEMBL4035565

CC(C)(C)n1nc(-c2ccc(C(=O)O)cc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.44
RARG P13631 7/20 0.44
HCAR3 P49019 1/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 1/20 0.44
PHGDH O43175 2/20 0.43
RARA P10276 4/20 0.42
RARB P10826 4/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CHEK1 O14757 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4032561 0.88 HSD17B1 (0.43) HCAR3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL23400674 0.82 P2RY6 (0.43) RAB9AKDM4EHTTNPC1SMN1; SMN2
SCHEMBL23399650 0.81 SMN1; SMN2 (0.42) RAB9AKDM4EGAAHTTNPC1
SCHEMBL2322010 0.72 ALDH1A1 (0.42) HCAR3RAB9AKDM4EPOLBGAA
SCHEMBL31420284 0.71 SMN1; SMN2 (0.54) RXRARARGRARARARBRAB9A
SCHEMBL23402126 0.71 RIPK2 (0.48) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL22530233 0.69 HCAR3 (0.43) RXRAHCAR3RXRBRXRGRAB9A
SCHEMBL22530587 0.68 P2RY14 (0.49) RXRAHCAR3RXRBRXRGRAB9A
SCHEMBL2629322 0.67 KMT2A (0.60) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1640794 0.67 HRH3 (0.58) PHGDHRAB9ACHEK1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 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 (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-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 RXRA 4595/4885RARG 4367/4885HCAR3 2411/4885

“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.