SCHEMBL6652235

SCHEMBL6652235

COc1cc(F)ccc1-c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
RORC P51449 1/20 0.45
HTT P42858 4/20 0.44
TTR P02766 1/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 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
SCHEMBL6648178 0.91 CTSV (0.49) CTSVCTSLALDH1A1MAPTKDM4E
SCHEMBL6716574 0.82 ANO1 (0.50) CTSVCTSLALDH1A1MAPTANO1
SCHEMBL6716569 0.82 ANO1 (0.50) CTSVCTSLALDH1A1MAPTANO1
SCHEMBL27495943 0.81 LMNA (0.48) CTSVCTSLALDH1A1MAPTKDM4E
SCHEMBL8881661 0.81 HTT (0.46) CTSVCTSLALDH1A1MAPTKDM4E
SCHEMBL6342762 0.80 ALDH1A1 (0.62) CTSVCTSLALDH1A1MAPTHTT
SCHEMBL679262 0.80 ALDH1A1 (0.62) CTSVCTSLALDH1A1MAPTHTT
SCHEMBL6650235 0.80 RORC (0.46) CTSVCTSLALDH1A1MAPTRORC
SCHEMBL6649633 0.80 CTSV (0.56) CTSVCTSLALDH1A1MAPTKDM4E
SCHEMBL6647924 0.80 MAPT (0.50) CTSVCTSLALDH1A1MAPTKDM4E

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
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
EP-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 EP disclosed
EP-1043325-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-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-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR 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 CTSV 4620/4885CTSL 4239/4885ALDH1A1 3161/4885

“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.