SCHEMBL669624

SCHEMBL669624

CC1(C)CCc2cc(Cl)cc(C(=O)O)c2O1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.38
POLB P06746 1/20 0.37
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL7325572 0.92 FFAR4 (0.36) FFAR4POLBPKMNPSR1AKR1C4
SCHEMBL14702595 0.88 PKM (0.40) FFAR4PKMNPSR1
SCHEMBL2432528 0.85 FFAR4 (0.49) FFAR4POLBPKMNPSR1AKR1C4
SCHEMBL671175 0.85 MEN1 (0.38) FFAR4PKMNPSR1
Hydrochloric Acid SCHEMBL7626508 0.84 FFAR4 (0.48) FFAR4POLBPKMNPSR1AKR1C4
SCHEMBL14907126 0.78 CCR5 (0.38) POLB
SCHEMBL17269667 0.76 AKT1 (0.41) PKM
SCHEMBL672668 0.76 LMNA (0.44) PKMNPSR1
SCHEMBL30888630 0.75 AKT1 (0.42) FFAR4
SCHEMBL2465219 0.75 AKR1C4 (0.38) FFAR4AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
US-6127379-A TREATING IRRITABLE BOWEL SYNDROME, URINARY INCONTINENCE, ATRIAL ARRHYTHMIA OR STROKE SMITHKLINE BEECHAM P.L.C. (GB) 2000-10-03 US disclosed
EP-0625149-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-23 EP disclosed
WO-1993016072-A1 BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-19 WO disclosed
US-4329459-A ENDOPEROXIDE CYCLOXGENASE INHIBITORS THE UPJOHN COMPANY (US) 1982-05-11 US 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 FFAR4 108/4885POLB 3734/4885SRD5A1 218/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 FFAR4 122/4885POLB 3584/4885SRD5A1 319/4885

“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.