SCHEMBL1489902

SCHEMBL1489902

COc1cc(S(=O)(=O)O)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CASR P41180 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
DRD2 P14416 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3493614 0.86 MAPK1 (0.70) MAPK1POLBTSHRKMT2AGPBAR1
SCHEMBL29362862 0.86 MAPK1 (0.70) MAPK1POLBTSHRKMT2AGPBAR1
SCHEMBL10497763 0.84 MAPK1 (0.68) MAPK1POLBTSHRKMT2AGPBAR1
SCHEMBL27996488 0.84 MAPK1 (0.68) MAPK1POLBTSHRKMT2AGPBAR1
Hydrochloric Acid SCHEMBL27568289 0.84 MAPK1 (0.68) MAPK1POLBTSHRKMT2AGPBAR1
Ammonia Solution, Strong SCHEMBL9646716 0.84 MAPK1 (0.68) MAPK1POLBTSHRKMT2AGPBAR1
SCHEMBL1489415 0.83 POLB (0.53) MAPK1POLBTSHRKMT2AGPBAR1
SCHEMBL2123784 0.77 PTGS1 (0.57) MAPK1POLBTSHRSMN1; SMN2LMNA
SCHEMBL13048593 0.76 PDK1 (0.57) POLBLMNACA12CA9ALDH1A1
SCHEMBL541846 0.76 GAA (0.51) MAPK1POLBTSHRSMN1; SMN2HTT

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-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 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-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 MAPK1 3328/4885POLB 4017/4885TSHR 383/4885

“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.