SCHEMBL4842551

SCHEMBL4842551

COc1cccc2c1CC(C(=O)NCCOc1ccc(C(=O)O)cc1)N2S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37

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
SCHEMBL4833601 0.92 CA12 (0.40) ALDH1A1RAB9ASMN1; SMN2THRBMAPT
SCHEMBL4839140 0.91 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2THRBMAPT
SCHEMBL4841989 0.91 TRPA1 (0.37) ALDH1A1RAB9AMAPTTP53TRPA1
SCHEMBL4841601 0.90 TRPA1 (0.39) ALDH1A1RAB9AMAPTTP53TRPA1
SCHEMBL4840536 0.86 MMP8 (0.45) ALDH1A1RAB9ASMN1; SMN2TSHRUSP2
SCHEMBL1043997 0.86 MMP8 (0.45) ALDH1A1RAB9ASMN1; SMN2TSHRUSP2
SCHEMBL4840519 0.86 MMP8 (0.44) ALDH1A1RAB9ASMN1; SMN2TSHRUSP2
SCHEMBL4844870 0.84 MAPT (0.42) ALDH1A1MAPTTP53TRPA1MMP3
SCHEMBL4843678 0.84 TRPA1 (0.38) ALDH1A1RAB9AMAPTTP53TRPA1
SCHEMBL4842910 0.83 TRPA1 (0.37) ALDH1A1RAB9AMAPTTP53TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ALDH1A1 1819/4885RAB9A 2028/4885SMN1; SMN2 2595/4885

“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.