Sugi Predict

Sugi Predict / Compounds / SCHEMBL14617023

SCHEMBL14617023

SCHEMBL14617023

COc1cccc(Nc2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)CC4)cc3)cs2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.61
▸ KMT2A Q03164 10/20 0.61
▸ MAPT P10636 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ CLK1 P49759 1/20 0.61
▸ GSK3A P49840 1/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ CDK5 Q00535 1/20 0.61
▸ CDK5R1 Q15078 1/20 0.61
▸ PTGS2 P35354 1/20 0.58
▸ RAB9A P51151 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 3/20 0.53

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
SCHEMBL180959 1.00 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL13664061 1.00 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL1722325 0.93 MEN1 (0.61) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180876 0.90 MEN1 (0.57) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180791 0.86 CYP1A1 (0.54) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL4939728 0.86 DGAT1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28060087 0.86 MEN1 (0.57) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL27790830 0.86 MEN1 (0.63) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL180967 0.84 DGAT1 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL180693 0.84 MAPT (0.60) MEN1KMT2AMAPTDGAT1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 — — US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 — — US disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 — — US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 — — US disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 — — US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 — — 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 (2 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-20130018054-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885KMT2A 2004/4885MAPT 1622/4885
US-20130018074-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 MEN1 3555/4885KMT2A 2004/4885MAPT 1622/4885

“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.