SCHEMBL703196

SCHEMBL703196

[CH2]C(F)(F)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PTPN1 P18031 2/20 0.44
KCNN4 O15554 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KIF11 P52732 1/20 0.42
MAPK1 P28482 1/20 0.38
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
CYP1A2 P05177 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
CES1 P23141 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTPN5 P54829 1/20 0.34

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
SCHEMBL23525262 0.81 TSHR (0.58) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL7499577 0.77 ALDH1A1 (0.52) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL5210676 0.77 TSHR (0.52) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL6299811 0.77 TSHR (0.52) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL6299799 0.77 TSHR (0.52) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL20603684 0.75 ALDH1A1 (0.50) TSHRALDH1A1CA1CA2KIF11
SCHEMBL3173030 0.73 KCNN4 (0.47) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL127186 0.73 KCNN4 (0.47) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL9723026 0.73 ALDH1A1 (0.65) TSHRALDH1A1PTPN1KCNN4CA1
SCHEMBL1108511 0.73 TSHR (0.65) TSHRALDH1A1PTPN1KCNN4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
EP-2296581-B1 A BIOMATERIAL COLOPLAST AS (DK) 2017-11-15 EP claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-9663502-B2 2-Acylamidomethyl and sulfonylamidomethyl benzoxazine carbamates for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-30 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
EP-2951179-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS Merck Patent GmbH (DE) 2015-12-09 EP claimed
CN-104955826-A SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH 2015-09-30 CN claimed
WO-2014117920-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2014-08-07 WO claimed
CN-102015706-B Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN LA ROCHE 2014-07-16 CN claimed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO claimed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 US claimed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP claimed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO claimed
JP-3098772-B2 2000-10-16 JP claimed
US-5998415-A Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed

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-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 TSHR 1734/4885ALDH1A1 97/4885PTPN1 1535/4885
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 TSHR 839/4885ALDH1A1 4174/4885PTPN1 576/4885

“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.