SCHEMBL923487

SCHEMBL923487

CC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL31632247 0.86 MAPT (0.39) MAPTTHRBMAPK1ALDH1A1TSHR
SCHEMBL9766041 0.85 CA1 (0.36) MAPTTHRBMAPK1ALDH1A1CA1
SCHEMBL2687218 0.84 PKM (0.41) MAPTALDH1A1CA1CA2CA4
SCHEMBL18894092 0.79 MAPK1 (0.39) MAPTTHRBMAPK1ALDH1A1PKM
SCHEMBL1978032 0.79 MAPT (0.46) MAPTTHRBMAPK1ALDH1A1TSHR
SCHEMBL1994831 0.78 TDP1 (0.41) ALDH1A1CA1CA2CA4TSHR
SCHEMBL6182340 0.74 CYP3A4 (0.35) MAPTTHRBMAPK1ALDH1A1TSHR
SCHEMBL823828 0.74 CES2 (0.43) MAPTMAPK1ALDH1A1CA1CA2
SCHEMBL31632378 0.73 GRIN2D (0.42) MAPTTHRBMAPK1ALDH1A1TSHR
SCHEMBL935587 0.73 ALDH1A1 (0.43) MAPTALDH1A1TSHRGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034856-B2 17-(1′propenyl)-17-3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-8987239-B2 19-nor-steroid derivatives with a 15α,16α-methylene group and a saturated 17,17-spirolactone ring, use thereof, and medicaments containing said derivatives Bayer Intellectual Property GbmH (DE) 2015-03-24 US disclosed
EP-2238149-B1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER IP GMBH (DE) 2015-03-18 EP disclosed
US-8937058-B2 17-hydroxy-19-nor-21-carboxylic acid-steroid γ-lactone derivative, use thereof, and medicament containing the derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-20 US disclosed
US-8623850-B2 15, 16-methylene-17-(1′-propenyl)-17,3′-oxidoestra-4-en-3-one derivative, use thereof, and medicament containing said derivative BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-07 US disclosed
US-8445469-B2 18-methyl-19-nor-17-pregn-4-ene-21,17-carbolactones, as well as pharmaceutical preparations that contain the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-21 US disclosed
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
EP-2238147-B1 17-(1'-PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2238148-B1 15,16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2178899-B1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-5519027-A PROGESTERONE ANTAGONIST FOR OXYTOCICS OR PREVENTION OF TERMINATION OF PREGNANCY SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed
WO-1995027726-A1 10,11-C3-BRIDGED STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed
WO-1995027725-A1 11β,19-BRIDGED 13α-ALKYL STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed
EP-0664811-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES. SCHERING AG (DE) 1995-08-02 EP disclosed
US-5426102-A Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-20 US disclosed
WO-1994009025-A1 GESTAGENICALLY ACTIVE 19,11-BRIDGED 4-ESTRENES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
EP-0567472-A1 D-HOMO-(16-EN)-11 BETA-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed
WO-1992011279-A1 D-HOMO-(16-EN)-11β-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1992-07-09 WO disclosed
EP-0298020-B1 USE OF AN EPOXIDATION REAGENT, AND PROCESS FOR THE PREPARATION OF 5-ALPHA (10-ALPHA) EPOXY-DELTA 9(11) STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-24 EP disclosed
EP-0298020-A1 Use of an epoxidation reagent, and process for the preparation of 5-alpha (10-alpha) epoxy-delta 9(11) steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-01-04 EP 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-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 MAPT 4510/4885THRB 178/4885MAPK1 2650/4885

“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.