SCHEMBL15701583

SCHEMBL15701583

Cc1cc(C(F)(F)F)n(Cc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
POLB P06746 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL23032102 0.85 GRN (0.49) PTGS2NR1H3KDM4EKCNJ6KCNJ5
SCHEMBL19584627 0.83 NR1H2 (0.44) PTGS2NR1H2NR1H3BRD4KDM4E
SCHEMBL19507970 0.83 GRN (0.47) PTGS2KDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL14061138 0.81 SMN1; SMN2 (0.46) NR1H2NR1H3BRD4KDM4EPOLB
SCHEMBL27677161 0.79 HSD17B10 (0.50) PTGS2NR1H2NR1H3KCNJ6KCNJ5
SCHEMBL3322508 0.78 LMNA (0.61) PTGS2KDM4EPOLBGAA
SCHEMBL14061282 0.76 NR1H2 (0.39) NR1H2NR1H3BRD4KDM4EKCNJ6
SCHEMBL14043795 0.75 ASAH1 (0.42) KDM4EGAAMEN1KMT2A
SCHEMBL12402397 0.75 PTGS2 (0.48) PTGS2NR1H3KDM4EKCNJ6KCNJ5
SCHEMBL17673290 0.75 PTGS2 (0.48) PTGS2NR1H2NR1H3KDM4EKCNJ6

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-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 PTGS2 576/4885NR1H2 2519/4885NR1H3 2974/4885

“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.