SCHEMBL30865737

SCHEMBL30865737

Fc1ccc(C(F)(F)F)c(N2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.52
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.41
HSD11B1 P28845 4/20 0.41
F2RL1 P55085 3/20 0.40
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMO O15229 1/20 0.40
TTR P02766 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19937837 0.84 ALDH1A1 (0.49) NOTUMALDH1A1GAAHTTMAPT
Hydrochloric Acid SCHEMBL29813270 0.82 ALDH1A1 (0.60) NOTUMALDH1A1GAAHTTHSD11B1
SCHEMBL12684833 0.80 NOTUM (0.51) NOTUMALDH1A1HTTMAPTTTR
SCHEMBL16729408 0.79 NOTUM (0.50) NOTUMALDH1A1GAAMAPTS1PR1
SCHEMBL29417795 0.77 ALDH1A1 (0.61) NOTUMALDH1A1GAAHTTMAPT
SCHEMBL19582575 0.77 ALDH1A1 (0.61) NOTUMALDH1A1GAAHTTMAPT
SCHEMBL5716060 0.76 ALDH1A1 (0.56) ALDH1A1GAAHTTMAPTF2RL1
SCHEMBL22350762 0.76 NOTUM (0.48) NOTUMMAPTTP53
SCHEMBL15332252 0.75 NOTUM (0.47) NOTUMTTR
SCHEMBL4451927 0.75 NOTUM (0.47) NOTUMALDH1A1GAAHSD11B1KDM4E

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-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2024-04-25 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-20240132500-A1 METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS TYMP, TYMS, P2RX7 NOTUM 3870/4885ALDH1A1 1335/4885GAA 448/4885

“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.