SCHEMBL13011378

SCHEMBL13011378

CCS(=O)(=O)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.56
▸ PGR P06401 1/20 0.49
▸ MRGPRX1 Q96LB2 7/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.43
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ ALPL P05186 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ NR3C1 P04150 1/20 0.40

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
SCHEMBL13011374 0.83 KIF11 (0.47) HSD17B10PTGS1PTGS2GAASLC40A1
SCHEMBL13011384 0.80 LMNA (0.65) PSIP1LMNAHPGDHSD17B10PTGS1
SCHEMBL13011383 0.77 PSIP1 (0.56) PSIP1MRGPRX1LMNAHPGDHSD17B10
SCHEMBL12768022 0.76 PSIP1 (0.73) PSIP1LMNAHPGDHSD17B10PTGS1
SCHEMBL6235230 0.76 GAA (0.45) GAASLC40A1NAMPTDDB1CRBN
SCHEMBL19303635 0.75 PSIP1 (0.61) PSIP1MRGPRX1GAA
SCHEMBL6230288 0.73 GAA (0.43) GAADDB1CRBN
SCHEMBL5645988 0.73 GAA (0.49) HPGDHSD17B10GAASLC40A1PTGES2
SCHEMBL24939298 0.73 ALDH1A1 (0.53) LMNAGAA
SCHEMBL13729582 0.73 CA1 (0.55) GAAPTGES2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-8569282-B2 Carboxamide compounds and their use CYTOPATHFINDER, INC. (JP) 2013-10-29 — — US disclosed
US-20100324035-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-23 — — US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US disclosed
US-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS JONES SIMON 2010-11-11 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — 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 (3 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-20100286136-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS ALDH1A2, QDPR, PDE6C PSIP1 2470/4885PGR 2901/4885MRGPRX1 1344/4885
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 PSIP1 4656/4885PGR 3503/4885MRGPRX1 122/4885
US-20100324035-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 PSIP1 4269/4885PGR 3705/4885MRGPRX1 128/4885

“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.

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