SCHEMBL4172718

SCHEMBL4172718

CC1=CC(C)(C)Nc2c(Cl)cc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.67
▸ TDP2 O95551 2/20 0.42
▸ AR P10275 3/20 0.42
▸ NR3C1 P04150 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL4180267 0.88 PGR (0.70) PGRTDP2ARNR3C1NR3C2
SCHEMBL4179783 0.86 PGR (0.67) PGRTDP2ARAKR1C3AKR1C2
SCHEMBL4172424 0.85 PGR (0.66) PGRTDP2ARNR3C1NR3C2
SCHEMBL4183026 0.81 PGR (1.00) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL4174299 0.79 PGR (0.71) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL27477006 0.78 PGR (0.46) PGRTDP2ALDH1A1TDP1
SCHEMBL5502297 0.77 PGR (0.56) PGRTDP2ARNR3C1NR3C2
SCHEMBL5505164 0.76 PGR (0.54) PGRTDP2ARNR3C1NR3C2
SCHEMBL4180394 0.74 PGR (0.74) PGRARNR3C1NR3C2AKR1C3
SCHEMBL4172186 0.74 PGR (0.66) PGRARNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 — — EP claimed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP claimed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US claimed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 — — EP claimed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 — — WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO disclosed
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 — — US disclosed
EP-1043325-B1 Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2004-06-16 — — EP 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
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
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-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5693646-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 (2 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 PGR 29/4885TDP2 4791/4885AR 7/4885
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PGR 44/4885TDP2 4287/4885AR 1/4885

“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.

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