SCHEMBL4326727

SCHEMBL4326727

CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.47
MAPK10 P53779 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
STAT6 P42226 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PIN1 Q13526 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CHRM1 P11229 1/20 0.34
TGFBR1 P36897 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPK3 P27361 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
ACVR1B P36896 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PIP5K1C O60331 1/20 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
SCHEMBL4336833 0.88 MAPK10 (0.40) TRPV3MAPK10MAPKAPK2JAK2JAK3
SCHEMBL13198256 0.84 TRPV3 (0.44) TRPV3MAPK10MAPKAPK2JAK2JAK3
SCHEMBL4336807 0.84 TRPV3 (0.44) TRPV3MAPK10MAPKAPK2JAK2JAK3
SCHEMBL4334040 0.84 ROCK2 (0.41) MAPK1MAPK3
SCHEMBL2862999 0.80 MAPK10 (0.47) MAPK10MAPKAPK2SIRT2SIRT1MAPK1
SCHEMBL4341447 0.79 JAK2 (0.40) TRPV3MAPK10MAPKAPK2JAK2JAK3
SCHEMBL2862938 0.79 MAPK10 (0.50) MAPK10MAPKAPK2SIRT2SIRT1PIP5K1C
SCHEMBL4334072 0.77 HPGD (0.47) MAPK10MAPK1
SCHEMBL4341432 0.77 ALDH1A1 (0.47) MAPK10MAPK1
SCHEMBL4329239 0.76 MAPK1 (0.45) MAPK10MAPK1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TRPV3 394/4885MAPK10 29/4885MAPKAPK2 18/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TRPV3 394/4885MAPK10 29/4885MAPKAPK2 18/4885

“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.