SCHEMBL22370231

SCHEMBL22370231

C[C@H](c1ccc(F)cc1)n1cncc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
GPBAR1 Q8TDU6 4/20 0.64
MAPK1 P28482 1/20 0.56
GABRA1 P14867 7/20 0.53
GABRB2 P47870 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ABCB11 O95342 1/20 0.53
GABRA2 P47869 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
CYP17A1 P05093 1/20 0.41
MET P08581 2/20 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
SCHEMBL22370234 1.00 ALDH1A1 (0.76) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL16903901 0.88 GPBAR1 (0.60) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL1081229 0.86 ALDH1A1 (1.00) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL11726722 0.86 ALDH1A1 (1.00) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL1081228 0.86 ALDH1A1 (1.00) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL4865817 0.85 ALDH1A1 (0.76) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL16950285 0.85 ALDH1A1 (0.76) ALDH1A1TDP1GPBAR1MAPK1GABRA1
Hydrochloric Acid SCHEMBL1081962 0.85 ALDH1A1 (0.97) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL11730438 0.85 ALDH1A1 (0.97) ALDH1A1TDP1GPBAR1MAPK1GABRA1
SCHEMBL16903909 0.83 GPBAR1 (0.56) ALDH1A1TDP1GPBAR1MAPK1GABRA1

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-20200277264-A1 Compounds for Treating Disorders Associated with Abnormal Steroidogenesis THE GENERAL HOSPITAL CORPORATION 2020-09-03 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-20200277264-A1 Compounds for Treating Disorders Associated with Abnormal Steroidogenesis CYP27A1, HSD17B11, NR5A1 ALDH1A1 459/4885TDP1 3134/4885GPBAR1 100/4885

“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.