SCHEMBL2187675

SCHEMBL2187675

O=S1(=O)CCCN1c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
TP53 P04637 8/20 0.52
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SLC9A3 P48764 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
OPRK1 P41145 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ESR1 P03372 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1787817 0.80 POLB (0.56) POLBTP53MAPTSMN1; SMN2SLC9A3
SCHEMBL10192187 0.80 TP53 (0.64) POLBTP53MAPTSMN1; SMN2SLC9A3
SCHEMBL12547064 0.80 POLB (0.56) POLBTP53MAPTSMN1; SMN2SLC9A3
SCHEMBL13745531 0.80 POLB (0.56) POLBTP53MAPTSMN1; SMN2SLC9A3
SCHEMBL4397150 0.80 POLB (0.91) POLBTP53MAPTSMN1; SMN2MEN1
SCHEMBL1526418 0.80 POLB (0.56) POLBTP53MAPTSMN1; SMN2SLC9A3
SCHEMBL25845303 0.79 CA1 (0.54) POLBTP53MAPTCA1CA2
SCHEMBL14584575 0.78 POLB (0.70) POLBTP53MAPTSMN1; SMN2MEN1
SCHEMBL12209941 0.78 POLB (0.57) POLBTP53MAPTSLC9A3CA1
SCHEMBL18367700 0.76 POLB (0.52) POLBTP53MAPTSMN1; SMN2SLC9A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 POLB 2810/4885TP53 4428/4885MAPT 4801/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI POLB 2958/4885TP53 4450/4885MAPT 4727/4885

“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.