SCHEMBL19989208

SCHEMBL19989208

Cc1cc(S(=O)(=O)N2CCC2CO)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
TRPA1 O75762 2/20 0.44
LOX P28300 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
PLAU P00749 1/20 0.41
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
HTT P42858 1/20 0.39
AKR1C3 P42330 1/20 0.39
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
HTR7 P34969 2/20 0.38

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
SCHEMBL29859774 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19989206 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19989318 0.92 LOX (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19989320 0.92 LOX (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19989210 0.92 LOX (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL25733182 0.82 TRPA1 (0.44) ALDH1A1LMNATRPA1LOXPLAU
SCHEMBL19989459 0.81 CASP3 (0.46) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL29859472 0.81 CASP3 (0.46) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19989496 0.81 CASP3 (0.46) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL29859833 0.81 CASP3 (0.46) MEN1KMT2AALDH1A1LMNAL3MBTL1

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 MEN1 2014/4885KMT2A 3008/4885ALDH1A1 442/4885
US-20180086716-A1 Indazole Compounds for Use in Tendon and/or Ligament Injuries MMP1, SLC10A2, TNNI3 MEN1 2007/4885KMT2A 3733/4885ALDH1A1 414/4885

“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.