SCHEMBL5673015

SCHEMBL5673015

Cc1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 1.00
PTGS2 P35354 13/20 0.98
PTGS1 P23219 10/20 0.98
CYP2C9 P11712 3/20 0.98
PTGES O14684 1/20 0.98
HDAC3 O15379 1/20 0.98
CA12 O43570 1/20 0.98
PDE5A O76074 1/20 0.98
ABCB11 O95342 1/20 0.98
MT-CO2 P00403 1/20 0.98
CA1 P00915 1/20 0.98
CA2 P00918 1/20 0.98
LMNA P02545 1/20 0.98
CA3 P07451 1/20 0.98
CYP3A4 P08684 1/20 0.98
ALOX5 P09917 1/20 0.98
ADORA3 P0DMS8 1/20 0.98
CYP2D6 P10635 1/20 0.98
ADRB3 P13945 1/20 0.98
ALOX15 P16050 1/20 0.98

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
Celecoxib SCHEMBL3708 0.99 PTGS2 (1.00) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL3669597 0.99 PTGS2 (1.00) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL19212458 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL354683 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL28441251 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL1982868 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL6600270 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL9998656 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL3785427 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES
Celecoxib SCHEMBL1981887 0.98 PTGS2 (0.98) PDPK1PTGS2PTGS1CYP2C9PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US disclosed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US disclosed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP disclosed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP disclosed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US disclosed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO 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-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PDPK1 1127/4885PTGS2 392/4885PTGS1 298/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PDPK1 1250/4885PTGS2 370/4885PTGS1 303/4885

“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.