SCHEMBL5156938

SCHEMBL5156938

O=C(O)C1CCSc2cc(Cl)c(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.33
PSMD14 O00487 1/20 0.33
USP2 O75604 1/20 0.33
PLA2G1B P04054 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NOTUM Q6P988 1/20 0.31
KMO O15229 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
SCHEMBL5162298 0.81 VHL (0.41) KMT2ANOTUM
SCHEMBL11001522 0.75 MAOA (0.35) POLBKMT2A
SCHEMBL2792592 0.74 HTR2B (0.39) POLBKMT2ANOTUM
SCHEMBL1844609 0.72 NPC1 (0.48) USP2ALPLPOLBALPIKMT2A
SCHEMBL11469002 0.71 KMO (0.33) KMO
SCHEMBL11001305 0.71 KDM4E (0.44) KMT2A
SCHEMBL11002734 0.71 RYR2 (0.46) KMT2A
SCHEMBL8834341 0.70 FABP4 (0.45) FABP4
SCHEMBL8834452 0.70 FABP4 (0.45) FABP4
SCHEMBL5956898 0.70 CA2 (0.38) PSMD14USP2PLA2G1BALPLPOLB

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 9 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
JP-2005000826-A TANK CLEANING SYSTEM AND TANK CLEANING METHOD NIPPON OIL STAGING TERMINAL CO LTD 2005-01-06 JP 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 FABP4 3579/4885PSMD14 3640/4885USP2 4452/4885

“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.