SCHEMBL23977880

SCHEMBL23977880

COc1c(C)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.44
AR P10275 3/20 0.44
CTSS P25774 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
HSD11B1 P28845 3/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16829403 0.87 CTSS (0.44) ARCTSSCYP1A2HSD11B1NFE2L2
SCHEMBL11646260 0.81 GABRA1 (0.52) CYP1A2CYP2A6GABRA1GABRB2ALDH1A1
SCHEMBL29689479 0.80 SCN8A (0.40) SCN8AARCTSSHSD11B1GABRA1
SCHEMBL29749364 0.79 AR (0.49) ARCTSSCYP1A2NFE2L2ALDH1A1
SCHEMBL10451316 0.79 AR (0.49) ARCTSSCYP1A2NFE2L2ALDH1A1
SCHEMBL6678695 0.79 GABRA1 (0.41) SCN8ACYP1A2CYP2A6GABRA1GABRB2
SCHEMBL31697313 0.79 AR (0.44) ARCTSSHSD11B1NFE2L2ALDH1A1
SCHEMBL22208564 0.79 AR (0.44) ARCTSSHSD11B1NFE2L2ALDH1A1
SCHEMBL21212296 0.79 CTSS (0.43) ARCTSSCYP1A2HSD11B1NFE2L2
SCHEMBL8986288 0.79 GABRA1 (0.41) SCN8ACYP1A2CYP2A6GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145369-A1 COMPOUNDS FOR TREATMENT OF HAIR LOSS PELAGE PHARMACEUTICALS, INC. (US) 2024-07-04 WO disclosed
WO-2023180345-A1 TRICYCLIC PHTHALAZINES AND DERIVATIVES AS SOS1 INHIBITORS JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-09-28 WO disclosed
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 SCN8A 59/4885AR 673/4885CTSS 3261/4885

“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.