SCHEMBL6424965

SCHEMBL6424965

Cc1c([C@](C)(C(=O)O)C(C)(C)C)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RORC P51449 1/20 0.35
ELANE P08246 2/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL6426438 0.90 SRC (0.38) SRCALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL6423640 0.90 AKR1C3 (0.41) SRCALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL6423264 0.89 AKR1C3 (0.44) AKR1C3AKR1C2KDM4EMAPTMEN1
SCHEMBL6426454 0.88 MEN1 (0.35) SRCAKR1C3AKR1C2RORCHSD11B1
SCHEMBL6451442 0.87 RORC (0.37) SRCAKR1C3AKR1C2RORCPTGS1
SCHEMBL6426637 0.87 RORC (0.35) SRCAKR1C3AKR1C2RORCHSD11B1
SCHEMBL6424899 0.87 SRC (0.36) SRCALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL6424929 0.87 ELANE (0.37) SRCALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL6426427 0.86 ELANE (0.37) SRCALDH1A1L3MBTL1AKR1C3AKR1C2
SCHEMBL6425427 0.85 PTGS1 (0.47) AKR1C3AKR1C2SMN1; SMN2CNR1CNR2

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 SRC 3467/4885ALDH1A1 630/4885L3MBTL1 4595/4885

“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.