SCHEMBL871908

SCHEMBL871908

O=C(O)[C@H]1C[C@H](OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AGTR2 P50052 2/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
S1PR5 Q9H228 1/20 0.46
EPHX2 P34913 1/20 0.45
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
NAAA Q02083 2/20 0.43
BCHE P06276 1/20 0.42
DPP4 P27487 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL582677 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL8347290 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL8352380 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL1588250 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL8353490 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL12017809 0.86 ALDH1A1 (0.49) AGTR2ALDH1A1CTSLCTSBCTSK
SCHEMBL29224887 0.86 CYP2C19 (0.51) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL26919961 0.86 AGTR2 (0.48) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL402536 0.85 AGTR2 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL21811816 0.85 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 CN disclosed
US-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-08-29 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-8158616-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2012-04-17 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 EP disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US disclosed
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
EP-0352013-B1 Hydroxymethyl cyclobutyl purines SQUIBB & SONS INC (US) 1996-05-01 EP disclosed
US-5369098-A Viricides E. R. SQUIBB & SONS, INC. (US) 1994-11-29 US disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed
EP-0352013-A2 Hydroxymethyl cyclobutyl purines E.R. Squibb & Sons, Inc. (US) 1990-01-24 EP 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 (4 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 NPC1 4744/4885RAB9A 3326/4885SMN1; SMN2 4054/4885
US-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 NPC1 4041/4885RAB9A 813/4885SMN1; SMN2 3910/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 NPC1 4041/4885RAB9A 813/4885SMN1; SMN2 3910/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 NPC1 4041/4885RAB9A 813/4885SMN1; SMN2 3910/4885

“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.