SCHEMBL19989489

SCHEMBL19989489

O=S(=O)(c1ccc(Br)c(F)c1)N1CC(F)(F)CC1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.45
CASP7 P55210 2/20 0.45
TRPA1 O75762 6/20 0.38
RORC P51449 2/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
PKM P14618 1/20 0.31
TRPV4 Q9HBA0 2/20 0.31
IDO1 P14902 1/20 0.31
USP5 P45974 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL29859498 1.00 CASP3 (0.45) CASP3CASP7TRPA1RORCKDM1A
SCHEMBL19989487 1.00 CASP3 (0.45) CASP3CASP7TRPA1RORCKDM1A
SCHEMBL29498487 0.87 CASP3 (0.47) CASP3CASP7TRPA1RORCMMP1
SCHEMBL29859209 0.87 CASP3 (0.47) CASP3CASP7TRPA1RORCMMP1
SCHEMBL19989566 0.87 CASP3 (0.44) CASP3CASP7TRPA1MMP9HSD17B10
SCHEMBL19989567 0.87 CASP3 (0.44) CASP3CASP7TRPA1MMP9HSD17B10
SCHEMBL29498502 0.87 CASP3 (0.44) CASP3CASP7TRPA1MMP9HSD17B10
SCHEMBL19989458 0.87 CASP3 (0.47) CASP3CASP7TRPA1RORCMMP1
SCHEMBL19989200 0.87 CASP3 (0.47) CASP3CASP7TRPA1RORCMMP1
SCHEMBL19989199 0.87 CASP3 (0.47) CASP3CASP7TRPA1RORCMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515894-B1 INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS AG (CH) 2021-04-07 EP disclosed
EP-3515894-A1 INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES Novartis AG (CH) 2019-07-31 EP disclosed
US-10112907-B2 Substituted indazoles for treating tendon and/or ligament injuries NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2018-03-29 US disclosed
WO-2018055550-A1 INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS AG (CH) 2018-03-29 WO 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-10112907-B2 Substituted indazoles for treating tendon and/or ligament injuries SLC10A2, MMP1, TNNI3 CASP3 408/4885CASP7 811/4885TRPA1 876/4885
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries MMP1, SLC10A2, TNNI3 CASP3 815/4885CASP7 1083/4885TRPA1 700/4885

“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.