SCHEMBL657170

SCHEMBL657170

NC(Cc1cccs1)Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
TAAR1 Q96RJ0 1/20 0.52
RAB9A P51151 1/20 0.47
CTSC P53634 8/20 0.46
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
POLB P06746 1/20 0.42
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 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
SCHEMBL1425381 0.87 CYP2C19 (0.48) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL14860743 0.87 CYP2C19 (0.53) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL12262584 0.87 CYP2C19 (0.48) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL12262043 0.87 CYP2C19 (0.48) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL24017115 0.86 CYP2C19 (0.55) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL24017051 0.86 CYP2C19 (0.55) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL9874276 0.86 TAAR1 (0.53) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL4668703 0.84 CYP2C19 (0.50) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL9326082 0.84 CYP2C19 (0.46) CYP2C19TAAR1RAB9ACTSCADRA2A
SCHEMBL2753684 0.82 CYP2C19 (0.44) CYP2C19TAAR1RAB9ACTSCADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867202-B1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2017-08-09 EP disclosed
US-9187442-B2 Method for producing stereoselective epoxyketone compound NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2015-11-17 US disclosed
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-07 US disclosed
EP-2867202-A2 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2015-05-06 EP disclosed
US-9018403-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-28 US disclosed
US-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-11 US disclosed
US-8765974-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-01 US disclosed
EP-2420504-B1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
WO-2014003203-A2 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-01-03 WO disclosed
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
EP-2420504-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-02-22 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 (3 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-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF CYP3A5, CYP2E1, CYP3A43 CYP2C19 33/4885TAAR1 1048/4885RAB9A 1061/4885
US-20150126755-A1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND HSD17B7, CYP51A1, AKR1B10 CYP2C19 521/4885TAAR1 1580/4885RAB9A 1633/4885
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF HPD, CYP3A5, CYP2E1 CYP2C19 36/4885TAAR1 1050/4885RAB9A 804/4885

“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.