SCHEMBL5712302

SCHEMBL5712302

CC1=C(CCO)c2cc(F)ccc2C1=Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.74
MAPT P10636 3/20 0.74
MAPK1 P28482 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
CYP3A4 P08684 2/20 0.74
PMP22 Q01453 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
GLA P06280 1/20 0.74
TSHR P16473 1/20 0.74
EDNRA P25101 1/20 0.74
HIF1A Q16665 1/20 0.74
HSD17B10 Q99714 1/20 0.74
PPARG P37231 8/20 0.57
RXRA P19793 6/20 0.54
PTGS2 P35354 2/20 0.51
EGFR P00533 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD1 P21728 1/20 0.51
PTGS1 P23219 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL5712301 1.00 CYP1A2 (0.74) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL7927229 1.00 CYP1A2 (0.74) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL8150858 0.88 CYP1A2 (0.57) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL8150862 0.88 CYP1A2 (0.57) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL4816472 0.87 CYP1A2 (0.76) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL7929709 0.85 CYP1A2 (0.70) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL7929715 0.85 CYP1A2 (0.70) CYP1A2MAPTMAPK1TDP1CYP3A4
SCHEMBL7929711 0.85 CYP1A2 (0.70) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL7634637 0.85 CYP1A2 (0.83) CYP1A2MAPTMAPK1TDP1CYP3A4
Exisulind SCHEMBL25371 0.85 CYP1A2 (1.00) CYP1A2MAPTMAPK1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146866-B1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI PHARM INC (US) 2006-11-29 EP claimed
EP-1146866-A4 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI PHARM INC (US) 2004-12-08 EP claimed
EP-1146866-A1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI Pharmaceuticals, Inc. (US) 2001-10-24 EP claimed
WO-2000044372-A1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR CELL PATHWAYS, INC. (US) 2000-08-03 WO claimed
US-6025394-A Method for treating patients with acne by administering substituted sulfonyl indenyl acetic acids, amides and alcohols CELL PATHWAYS, INC. (US) 2000-02-15 US claimed
EP-1146866-B1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI PHARM INC (US) 2006-11-29 EP disclosed
EP-1146866-A4 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI PHARM INC (US) 2004-12-08 EP disclosed
EP-1146866-A1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR OSI Pharmaceuticals, Inc. (US) 2001-10-24 EP disclosed
US-6300346-B1 THERAPY OF PRECANCEROUS LESIONS COMPRISING ADMINISTERING INDENYL HYDROXAMIC ACID DERIVATIVE COMPOUND CELL PATHWAYS, INC. 2001-10-09 US disclosed
US-20010020020-A1 Method for treating patients with macular degeneration by administering substituted sulfonyl indenyl acetic acids and alcohols PAMUKCU RIFAT (US) 2001-09-06 US disclosed
US-20010006965-A1 Method for treating patients with diabetic retinopathy by administering substituted sulfonyl indenyl acetic acids and alcohols PAMUKCU RIFAT (US) 2001-07-05 US disclosed
US-6177471-B1 PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. 2001-01-23 US disclosed
WO-2000044372-A1 A METHOD FOR TREATING PATIENTS WITH ACNE BY ADMINISTERING A CYCLIC GMP PDE INHIBITOR CELL PATHWAYS, INC. (US) 2000-08-03 WO disclosed
US-6071934-A PREVENTING TUMORS OR SLOWING THEIR GROWTH CELL PATHWAYS, INC. (US) 2000-06-06 US disclosed
US-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed
US-6025394-A Method for treating patients with acne by administering substituted sulfonyl indenyl acetic acids, amides and alcohols CELL PATHWAYS, INC. (US) 2000-02-15 US disclosed
US-5958982-A Method for treating patients with sarcoidosis by administering substituted sulfonyl indenyl acetic acids, esters and alcohols CELL PATHWAYS, INC. (US) 1999-09-28 US disclosed
US-5902827-A Method for treating patients with psoriasis by administering substituted sulfonyl indenyl acetic acids, esters and alcohols CELL PATHWAYS (US) 1999-05-11 US disclosed
US-5093356-A Antiallergens, antiasthma, antiinflammatory, cytoprotective MERCK FROSST CANADA, INC. (CA) 1992-03-03 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-20010020020-A1 Method for treating patients with macular degeneration by administering substituted sulfonyl indenyl acetic acids and alcohols ALDH1A2, ALDH1A3, FFAR3 CYP1A2 3426/4885MAPT 2119/4885MAPK1 3231/4885
US-20010006965-A1 Method for treating patients with diabetic retinopathy by administering substituted sulfonyl indenyl acetic acids and alcohols ALDH1A2, ALDH1A3, IAPP CYP1A2 3107/4885MAPT 3451/4885MAPK1 4144/4885

“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.