SCHEMBL14059166

SCHEMBL14059166

CC(=O)N1CCc2ccc(S(N)(=O)=O)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 2/20 0.60
NOTUM Q6P988 6/20 0.60
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
KDM4E B2RXH2 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL14058862 0.88 CA12 (0.69) LMNANOTUMKMT2APKMCA12
SCHEMBL1803594 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL8178469 0.87 CA1 (0.56) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL1807646 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL1820571 0.83 KMT2A (0.65) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL18391775 0.82 KMT2A (0.64) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL27559350 0.80 TP53 (0.70) ALDH1A1SMN1; SMN2LMNAKMT2APKM
SCHEMBL399536 0.78 NOTUM (0.67) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A
SCHEMBL28455909 0.78 CA1 (0.50) ALDH1A1SMN1; SMN2NOTUMCA12CA1
SCHEMBL30340506 0.78 NOTUM (0.67) ALDH1A1SMN1; SMN2LMNANOTUMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 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 (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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 ALDH1A1 2963/4885SMN1; SMN2 600/4885LMNA 2227/4885

“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.