Sugi Predict

Sugi Predict / Compounds / SCHEMBL5737430

SCHEMBL5737430

SCHEMBL5737430

CC(C)c1cc(OS(=O)(=O)C(F)(F)F)ccc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.37
▸ HTR1D P28221 5/20 0.35
▸ HTR1A P08908 4/20 0.35
▸ HTR1B P28222 4/20 0.35
▸ CXCR2 P25025 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ APLNR P35414 2/20 0.32
▸ PREP P48147 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ TACR1 P25103 1/20 0.30

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
SCHEMBL7943234 0.79 HSD11B1 (0.39) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL5736807 0.78 CXCR2 (0.42) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL5735197 0.78 HSD11B1 (0.43) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL5736886 0.77 CXCR2 (0.38) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL5736292 0.76 HTR1D (0.35) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL18799334 0.74 CXCR2 (0.44) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL17094652 0.74 CXCR2 (0.42) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL19094371 0.72 TACR1 (0.33) CA2TACR1
SCHEMBL19859152 0.72 CXCR2 (0.43) HSD11B1HTR1DHTR1AHTR1BCXCR2
SCHEMBL5736640 0.71 BACE1 (0.31) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366036-B1 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN INC (US) 2006-01-11 — — EP disclosed
US-6855512-B2 Methods for identifying inhibitors of cytochrome P450RAI ALLERGAN, INC. (US) 2005-02-15 — — US disclosed
US-6713647-B2 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2004-03-30 — — US disclosed
EP-1366036-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-12-03 — — EP disclosed
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-10-02 — — US disclosed
US-6603019-B2 Phenylacetic or heteroarylacetic acid derivatives, retinoic acid inducible enzyme, used to treat diseases responsive to retinoids ALLERGAN, INC. 2003-08-05 — — US disclosed
EP-1322631-A2 METHODS OF PROVIDING AND USING COMPOUNDS ( RETINOIDS ) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-07-02 — — EP disclosed
US-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 — — US disclosed
US-6531599-B2 RAI=retinoic acid inducible; for example, 4-((8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro(2H-1-benzopyran-2,1' -cyclopropane)-6-yl) ethynyl)-2-fluoro-benzoic acid; use treating diseases responsive to retinoids ALLERGAN SALES, INC. 2003-03-11 — — US disclosed
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 — — US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 — — US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 — — US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 — — US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 — — WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 — — US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 — — WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 — — US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 — — US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 — — US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 — — 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 (3 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 HSD11B1 79/4885HTR1D 3888/4885HTR1A 2525/4885
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG HSD11B1 101/4885HTR1D 4278/4885HTR1A 3169/4885
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG HSD11B1 86/4885HTR1D 3713/4885HTR1A 2629/4885

“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.