SCHEMBL3000306

SCHEMBL3000306

Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.68
AKR1C3 P42330 2/20 0.66
AKR1C2 P52895 2/20 0.66
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
TSHR P16473 2/20 0.58
CYP2C19 P33261 2/20 0.58
PMP22 Q01453 2/20 0.58
KDM4E B2RXH2 1/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PLA2G2A P14555 5/20 0.55
PLA2G1B P04054 1/20 0.55
PTGDR Q13258 2/20 0.51
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.48
RGS12 O14924 1/20 0.48

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
SCHEMBL2007815 0.89 LMNA (0.58) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL4210031 0.88 THRA (0.60) PTGDR2AKR1C3AKR1C2PLA2G2APLA2G1B
SCHEMBL2001190 0.88 AKR1C3 (0.52) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2002638 0.87 PLA2G2A (0.63) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL1998692 0.86 PTGDR2 (0.68) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2007754 0.86 AKR1C3 (0.51) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL2003959 0.85 PLA2G2A (0.50) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL16222859 0.84 AKR1C3 (0.48) PTGDR2AKR1C3AKR1C2LMNAKDM4E
SCHEMBL2005905 0.84 PLA2G2A (0.52) PTGDR2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL4543998 0.83 PLA2G2A (0.50) PTGDR2AKR1C3AKR1C2LMNACYP1A2

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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGDR2 68/4885AKR1C3 1274/4885AKR1C2 1417/4885

“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.