SCHEMBL19989513

SCHEMBL19989513

O=S(=O)(c1ccc(Br)c(F)c1)N1CC[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.49
HSD17B10 Q99714 2/20 0.43
AKR1C3 P42330 3/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C1 Q04828 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
USP5 P45974 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PKM P14618 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL19989270 1.00 TDO2 (0.49) TDO2HSD17B10AKR1C3KCNH2HRH3
SCHEMBL29859576 1.00 TDO2 (0.49) TDO2HSD17B10AKR1C3KCNH2HRH3
SCHEMBL29859221 1.00 TDO2 (0.49) TDO2HSD17B10AKR1C3KCNH2HRH3
SCHEMBL25312484 0.84 MCOLN3 (0.50) HSD17B10POLBMCOLN3ALDH1A1HPGD
SCHEMBL19989448 0.84 ALDH1A1 (0.50) TDO2HSD17B10KCNH2HRH3POLB
SCHEMBL29859224 0.84 ALDH1A1 (0.50) TDO2HSD17B10KCNH2HRH3POLB
SCHEMBL29859401 0.84 ALDH1A1 (0.50) TDO2HSD17B10KCNH2HRH3POLB
SCHEMBL29498550 0.84 MAPT (0.46) TDO2HSD17B10AKR1C3KCNH2HRH3
SCHEMBL19994859 0.84 MAPT (0.46) TDO2HSD17B10AKR1C3KCNH2HRH3
SCHEMBL29498672 0.84 MAPT (0.46) TDO2HSD17B10AKR1C3KCNH2HRH3

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
CN-109715608-B Indazole compounds for use in tendon and/or ligament injuries 诺华股份有限公司 2022-08-05 CN disclosed
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 TDO2 1563/4885HSD17B10 1349/4885AKR1C3 1344/4885
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries MMP1, SLC10A2, TNNI3 TDO2 1593/4885HSD17B10 1388/4885AKR1C3 1509/4885

“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.