SCHEMBL1994461

SCHEMBL1994461

O=C(O)Cc1nc(Cl)cc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PTGDR2 Q9Y5Y4 13/20 0.42
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1B1 P15121 1/20 0.39
S1PR2 O95136 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39

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
SCHEMBL1992679 0.81 MEN1 (0.43) TSHRS1PR2
SCHEMBL12563577 0.72 MCHR1 (0.46) PTGDR2
SCHEMBL29937094 0.71 MAPT (0.40) S1PR2
SCHEMBL1992185 0.71 MAPT (0.40) S1PR2
SCHEMBL27822168 0.70 AKR1B1 (0.51) TSHRPTGDR2AKR1B1
SCHEMBL27587093 0.68 AKR1B1 (0.38) PTGDR2AKR1B1S1PR2AGBL2
SCHEMBL18455649 0.68 MAPT (0.41)
SCHEMBL23640325 0.68 MAPT (0.49) TSHRPTGDR2AKR1B1AGBL2
SCHEMBL9512394 0.68 MAPT (0.68) TSHRAKR1B1AGBL2
SCHEMBL2172584 0.68 PTGDR2 (0.46) TSHRPTGDR2AKR1C3AKR1C2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO TSHR 752/4885PTGDR2 61/4885AKR1C3 593/4885

“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.