SCHEMBL6424670

SCHEMBL6424670

CCC(C(=O)O)c1c(C)n(C(=S)c2ccc(C)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
PTGS1 P23219 2/20 0.46
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PLA2G2A P14555 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PHGDH O43175 1/20 0.33

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
SCHEMBL6422648 0.93 PTGS1 (0.45) PTGS2PTGS1ALDH1A1TAS1R3TAS1R1
SCHEMBL5558365 0.91 PTGS1 (0.44) PTGS2PTGS1ALDH1A1TAS1R3TAS1R1
SCHEMBL6424813 0.90 PTGS2 (0.57) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL6425354 0.89 HRH3 (0.36) PTGS2PTGS1KMT2ATAS1R3TAS1R1
SCHEMBL6423732 0.88 PTGS2 (0.47) PTGS2PTGS1KMT2AALDH1A1TAS1R3
SCHEMBL6426006 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1PLA2G2A
SCHEMBL6425700 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1PLA2G2A
SCHEMBL6427633 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1PLA2G2A
SCHEMBL6424524 0.87 POLB (0.34) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL6427391 0.85 PTGS2 (0.45) PTGS2PTGS1KMT2AALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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 (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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885MEN1 3824/4885

“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.