SCHEMBL17859477

SCHEMBL17859477

Cc1nc2ccc(C(=O)O)c(F)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 6/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.43
PPARG P37231 3/20 0.41
NR2E3 Q9Y5X4 3/20 0.41
NCOR2 Q9Y618 3/20 0.41
HPGD P15428 2/20 0.41
NCOA2 Q15596 2/20 0.41
NCOA1 Q15788 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
PTK2B Q14289 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STAT1 P42224 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 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
SCHEMBL30521365 0.89 RAB9A (0.46) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL25804875 0.89 RAB9A (0.46) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL24603565 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL30626872 0.77 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL26264545 0.77 RAB9A (0.44) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL17859467 0.76 ALDH1A1 (0.47) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL30521270 0.74 RAB9A (0.44) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL12596659 0.74 RAB9A (0.44) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL15001036 0.73 RAB9A (0.57) SMN1; SMN2RAB9ANPC1KDM4EHTT
SCHEMBL30521493 0.72 RAB9A (0.42) SMN1; SMN2RAB9ANPC1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233850-B1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2019-04-03 EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 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-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 SMN1; SMN2 4830/4885RAB9A 3134/4885NPC1 95/4885

“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.