SCHEMBL3108648

SCHEMBL3108648

O=C(O)CO/N=C/c1cccc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
MAOB P27338 2/20 0.50
PTPN1 P18031 3/20 0.48
PTPN2 P17706 2/20 0.48
PTPN6 P29350 2/20 0.48
MAOA P21397 1/20 0.48
PPARD Q03181 4/20 0.47
PPARA Q07869 3/20 0.47
F10 P00742 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
FFAR1 O14842 4/20 0.45
NR1H4 Q96RI1 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PSEN1 P49768 1/20 0.43

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
SCHEMBL3108652 1.00 SPHK2 (0.52) SPHK2SPHK1MAOBPTPN1PTPN2
SCHEMBL3110254 0.93 PPARD (0.51) SPHK2SPHK1MAOBPTPN1PTPN2
SCHEMBL3110246 0.93 PPARD (0.51) SPHK2SPHK1MAOBPTPN1PTPN2
SCHEMBL3105501 0.93 PPARD (0.56) SPHK2SPHK1PTPN1PTPN2PTPN6
SCHEMBL3105508 0.93 PPARD (0.56) SPHK2SPHK1PTPN1PTPN2PTPN6
SCHEMBL3101525 0.92 PPARD (0.45) SPHK2SPHK1MAOBPTPN1PTPN6
SCHEMBL3101529 0.92 PPARD (0.45) SPHK2SPHK1MAOBPTPN1PTPN6
SCHEMBL3108834 0.91 NR4A2 (0.54) SPHK2SPHK1MAOBPTPN1PTPN6
SCHEMBL3108828 0.91 NR4A2 (0.54) SPHK2SPHK1MAOBPTPN1PTPN6
SCHEMBL3110948 0.90 NR4A2 (0.54) SPHK2SPHK1PPARDPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US claimed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 US claimed
US-7803835-B2 Substituted acetic acid derivatives WYETH LLC (US) 2010-09-28 US disclosed
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US disclosed
US-7411083-B2 Substituted acetic acid derivatives WYETH (US) 2008-08-12 US disclosed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 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-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES AADAC, ACACA, AANAT SPHK2 2682/4885SPHK1 3532/4885MAOB 292/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT SPHK2 2682/4885SPHK1 3532/4885MAOB 292/4885

“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.