Sugi Predict

Sugi Predict / Compounds / SCHEMBL5113727

SCHEMBL5113727

SCHEMBL5113727

CS(=O)(=O)NC(=O)C=Cc1ccc(C2=C(c3ccccc3)CCc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.44
▸ ESR2 Q92731 3/20 0.44
▸ HDAC2 Q92769 3/20 0.43
▸ PTGS2 P35354 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL6438313 1.00 ESR1 (0.44) ESR1ESR2HDAC2PTGS2HDAC3
SCHEMBL6437657 0.94 ESR1 (0.43) ESR1ESR2HDAC2PTGS2HDAC3
SCHEMBL6437655 0.94 ESR1 (0.43) ESR1ESR2HDAC2PTGS2HDAC3
SCHEMBL6439435 0.89 HDAC1 (0.47) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL6439438 0.89 HDAC1 (0.47) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL6438541 0.86 HDAC1 (0.47) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL6438538 0.86 HDAC1 (0.47) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL5114409 0.83 HDAC1 (0.45) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL6441021 0.83 HDAC1 (0.45) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL5118234 0.83 ESR1 (0.52) ESR1ESR2HDAC2PTGS2HDAC3

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 8 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
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 — — US 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
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 — — 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-20050245602-A1 Selective estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885HDAC2 2417/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885HDAC2 2368/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885HDAC2 2520/4885

“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.