SCHEMBL17859467

SCHEMBL17859467

Cc1nc2cccc(C(=O)O)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HTT P42858 2/20 0.43
DHODH Q02127 2/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 2/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
STAT1 P42224 1/20 0.43
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.41
ILK Q13418 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL543966 0.83 ILK (0.57) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5118299 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL7556888 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL687318 0.81 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1HSD17B10DHODH
SCHEMBL8975728 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL20969720 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL20859029 0.80 TLR8 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5116616 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4857995 0.77 APP (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL17859477 0.76 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115023419-A Cereblon-bound piperidine-2, 6-diones and methods of use thereof 凯普托尔治疗学股份有限公司 2022-09-06 CN disclosed
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
CN-101568536-B 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN disclosed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN 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 ALDH1A1 2674/4885SMN1; SMN2 4830/4885RAB9A 3134/4885

“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.