SCHEMBL184068

SCHEMBL184068

O=C(NC1CCCCC1)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.64
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ACLY P53396 1/20 0.47
TSHR P16473 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
HSD11B1 P28845 3/20 0.46
GAA P10253 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45

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
SCHEMBL13568179 0.91 BCL2 (0.52) BCL2NPC1RAB9AALDH1A1LMNA
SCHEMBL184861 0.83 BCL2 (0.68) BCL2LMNAACLYHDAC8HDAC6
SCHEMBL185147 0.83 BCL2 (0.70) BCL2LMNAACLYHDAC8HDAC6
SCHEMBL184006 0.83 BCL2 (0.56) BCL2ALDH1A1LMNAACLYMEN1
SCHEMBL184237 0.83 BCL2 (0.70) BCL2ALDH1A1LMNAACLYHDAC8
SCHEMBL184888 0.82 BCL2 (0.60) BCL2NPC1RAB9ALMNAACLY
SCHEMBL184218 0.82 BCL2 (0.77) BCL2ACLYHDAC8HDAC6MMP1
SCHEMBL254285 0.82 BCL2 (0.69) BCL2LMNAACLYHDAC8HDAC6
SCHEMBL183826 0.81 BCL2 (0.77) BCL2ACLYHDAC8HDAC6MMP1
SCHEMBL184344 0.81 BCL2 (0.65) BCL2LMNAACLYHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US claimed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (3 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2 520/4885NPC1 715/4885RAB9A 1412/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA BCL2 132/4885NPC1 958/4885RAB9A 831/4885
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 BCL2 1/4885NPC1 3008/4885RAB9A 4562/4885

“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.