SCHEMBL1771108

SCHEMBL1771108

CC/C=C\n1c(=O)cc(C(F)(F)F)c2cc(CCC)ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.34
RORA P35398 2/20 0.32
RORC P51449 2/20 0.32
RORB Q92753 2/20 0.32
S1PR1 P21453 1/20 0.32
PGR P06401 5/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL1771168 1.00 AR (0.34) ARRORARORCRORBS1PR1
SCHEMBL27520563 0.82 PTGES (0.37) ARS1PR1
SCHEMBL1771618 0.76 RORA (0.50) RORARORCRORBPGR
SCHEMBL1773649 0.72 POLB (0.32) ARRORARORCRORB
SCHEMBL1771994 0.71 PGR (0.47) ARRORARORCRORBPGR
SCHEMBL1771143 0.67 AR (0.65) AR
SCHEMBL27544727 0.66 S1PR1 (0.36) ARRORCS1PR1
SCHEMBL27544757 0.64 AR (0.38) ARRORARORCRORBS1PR1
SCHEMBL27543726 0.63 AGER (0.36) AR
SCHEMBL12083709 0.63 KDM4E (0.56) RORARORCRORBPGR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US claimed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US claimed
JP-2003508387-A 2003-03-04 JP claimed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION SUMMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-12 US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (5 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-20100204216-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-beta PROTEIN ACCUMULATION APP, PSEN1, IAPP AR 3600/4885RORA 4027/4885RORC 4128/4885
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR AR 1/4885RORA 72/4885RORC 103/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR AR 1/4885RORA 72/4885RORC 103/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 AR 9/4885RORA 88/4885RORC 231/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR AR 1/4885RORA 72/4885RORC 103/4885

“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.