SCHEMBL17859545

SCHEMBL17859545

Cc1nc2cc(C(=O)O)cc(C)c2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
TDP1 Q9NUW8 1/20 0.43
TPMT P51580 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MYC P01106 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL29185120 0.86 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TDP1KMT2A
SCHEMBL30832217 0.86 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2TDP1KMT2A
SCHEMBL17211715 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TDP1TPMT
SCHEMBL2171105 0.75 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL17851277 0.74 NPC1 (0.54) RAB9ANPC1SMN1; SMN2TPMTKMT2A
SCHEMBL27364496 0.74 KDM4E (0.47) RAB9ANPC1SMN1; SMN2TDP1TPMT
SCHEMBL17115183 0.72 GAA (0.44) RAB9ANPC1SMN1; SMN2TDP1KMT2A
SCHEMBL1105986 0.71 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TDP1KMT2A
SCHEMBL17859476 0.71 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2TDP1KMT2A
SCHEMBL1144531 0.70 TPMT (0.39) RAB9ANPC1SMN1; SMN2TDP1TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 3134/4885NPC1 95/4885SMN1; SMN2 4830/4885

“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.