SCHEMBL17859476

SCHEMBL17859476

Cc1nc2cc(F)c(C(=O)O)c(F)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
DHODH Q02127 2/20 0.34
MAPK1 P28482 1/20 0.34
LDHA P00338 1/20 0.34
KMT2A Q03164 2/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC4 P56524 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL17859477 0.72 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL17859545 0.71 RAB9A (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL17211715 0.70 RAB9A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL25424363 0.69 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL17859473 0.69 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL25604130 0.68 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL30521365 0.68 RAB9A (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL25804875 0.68 RAB9A (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL8994430 0.68 CA1 (0.48) SMN1; SMN2RAB9AALDH1A1HSD17B10MAPT
SCHEMBL4438092 0.67 MEN1 (0.43) SMN1; SMN2ALDH1A1MAPTHTTMAPK1

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
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 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-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.