SCHEMBL6652578

SCHEMBL6652578

Cc1c(C(=O)NOC(C)(C)C)ccc2c1NC(C)(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CNR2 P34972 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ CYP26A1 O43174 1/20 0.31
▸ CYP26B1 Q9NR63 1/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL6648958 0.77 AR (0.40) PTGS2EGFR
SCHEMBL6648514 0.75 SIRT2 (0.39) CYP26A1
SCHEMBL8018676 0.74 RPS6KA1 (0.32) KDM4E
SCHEMBL6648414 0.72 PTGS2 (0.36) PTGS2KDM4ECNR2EGFRCNR1
SCHEMBL4175400 0.72 PTGS2 (0.36) PTGS2EGFR
SCHEMBL6648593 0.70 AR (0.33) —
SCHEMBL10839029 0.68 KDM4E (0.32) KDM4E
SCHEMBL758738 0.65 ALOX5 (0.44) KDM4EPOLB
SCHEMBL6649591 0.65 PTGS2 (0.36) PTGS2EGFR
SCHEMBL1771315 0.64 PTGS2 (0.46) PTGS2KDM4EEGFR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 — — US disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 — — US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 — — EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 — — EP disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 — — US disclosed
EP-1043325-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP disclosed
EP-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP disclosed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP disclosed
EP-1041071-A1 Methods for the preparation of coumarine derivatives LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 — — EP disclosed
EP-1041066-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 — — EP disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 — — US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 — — EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 — — 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 (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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 PTGS2 469/4885KDM4E 3167/4885POLB 3616/4885

“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.

Send feedback