SCHEMBL476708

SCHEMBL476708

CS(=O)(=O)NCCCn1ccc2ccc(Cl)c(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
MCL1 Q07820 1/20 0.33
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL476619 0.77 ALDH1A1 (0.39) HTTPOLBALDH1A1KMT2ARECQL
SCHEMBL476706 0.75 MCL1 (0.36) HDAC6HDAC1HDAC8MCL1HTR2A
SCHEMBL476643 0.74 SIGMAR1 (0.35) HDAC6HDAC1HDAC8MCL1HTR2A
SCHEMBL26913332 0.74 KAT2B (0.41) ALDH1A1HDAC6HDAC1HDAC8MCL1
SCHEMBL476691 0.73 MCL1 (0.33) MCL1HTR2AHTR2C
SCHEMBL476705 0.73 HTT (0.48) HTTPOLBALDH1A1KMT2AMAPT
SCHEMBL26913333 0.72 KMO (0.47) KMT2AHDAC6HDAC1HDAC8MCL1
SCHEMBL26912359 0.69 HTT (0.44) HTTPOLBALDH1A1KMT2ARECQL
SCHEMBL26912945 0.69 HTT (0.44) HTTCA12CA1CA2CA9
SCHEMBL26913688 0.68 LMNA (0.51) HDAC6HDAC1HDAC8MCL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 HTT 1044/4885CA12 2288/4885CA1 2093/4885

“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.