SCHEMBL17859504

SCHEMBL17859504

Cc1nc(CC(=O)O)c(C(F)(F)F)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
AGBL2 Q5U5Z8 2/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NOTUM Q6P988 1/20 0.35
GABRR1 P24046 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 2/20 0.34
DDR1 Q08345 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL20031269 0.80 GAA (0.41) FBP1AGBL2KDM4ENOTUMGABRR1
SCHEMBL2305553 0.78 FBP1 (0.42) FBP1KDM4EALDH1A1NPC1PKM
SCHEMBL13765709 0.76 KDM4E (0.57) AGBL2KDM4EALDH1A1GABRR1RAB9A
SCHEMBL24423863 0.74 FBP1 (0.39) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL621837 0.74 FBP1 (0.39) FBP1ALDH1A1NPC1MAPT
SCHEMBL569207 0.73 FBP1 (0.55) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL568661 0.69 FBP1 (0.55) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL15650510 0.68 FBP1 (0.54) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL15639468 0.68 KDM4E (0.39) AGBL2KDM4EGABRR1MAPTSMN1; SMN2
SCHEMBL24424625 0.67 FBP1 (0.72) FBP1KDM4EALDH1A1NPC1PKM

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 5 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
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 WO 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 FBP1 415/4885AGBL2 3227/4885KDM4E 3050/4885

“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.