SCHEMBL5114409

SCHEMBL5114409

O=C(C=Cc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC3 O15379 6/20 0.45
HDAC4 P56524 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
ESR1 P03372 5/20 0.42
ESR2 Q92731 2/20 0.42
NLRP3 Q96P20 1/20 0.39
KDM1A O60341 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6441021 1.00 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6439435 0.94 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6439438 0.94 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6437657 0.90 ESR1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6437655 0.90 ESR1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6438035 0.87 ESR1 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6438036 0.87 ESR1 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6437026 0.86 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6437030 0.86 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14289701 0.84 ESR1 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7

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-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-7045540-B2 Selective estrogen receptor modulators BRISTOL MEYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 US disclosed
US-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 US disclosed
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 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 (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-20050245602-A1 Selective estrogen receptor modulators ESR1, ESR2, GPER1 HDAC1 2887/4885HDAC2 2417/4885HDAC3 1559/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR HDAC1 1964/4885HDAC2 2368/4885HDAC3 1502/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 HDAC1 2935/4885HDAC2 2520/4885HDAC3 1883/4885

“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.