SCHEMBL5162298

SCHEMBL5162298

O=C(O)C1CCSc2ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR Q13258 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
MAPT P10636 2/20 0.36
PTGER2 P43116 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL11005690 0.81 SIRT1 (0.37) MEN1KMT2APTGDR2MAPT
SCHEMBL2792592 0.81 HTR2B (0.39) MEN1HTTKMT2APTGDR2NOTUM
SCHEMBL5156938 0.81 FABP4 (0.33) KMT2ANOTUM
SCHEMBL8793456 0.79 LMNA (0.48) LMNAMEN1HTTKMT2AMAPT
SCHEMBL11002734 0.78 RYR2 (0.46) MEN1HTTKMT2APTGDR2
SCHEMBL1844609 0.77 NPC1 (0.48) MEN1KMT2A
SCHEMBL10467284 0.76 FABP4 (0.49)
SCHEMBL3406508 0.73 VHL (0.41) VHLELOCELOBLMNAMEN1
SCHEMBL11001522 0.73 MAOA (0.35) KMT2A
SCHEMBL28703565 0.73 VHL (0.41) VHLELOCELOBLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 EP claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
US-4210663-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OF DIABETIC CATARACTS, NEUROPATHY OR RETINOPATHY PFIZER INC. (US) 1980-07-01 US disclosed
EP-0011426-A1 Halogen-substituted benzopyran- and benzothiopyran-4-carboxylic acids, their preparation and pharmaceutical compositions containing the same PFIZER INC. (US) 1980-05-28 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 VHL 2186/4885ELOC 1983/4885ELOB 2080/4885

“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.