SCHEMBL802812

SCHEMBL802812

COC1CCc2ccccc2C1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
IDO1 P14902 3/20 0.42
PDPK1 O15530 1/20 0.42
SRD5A1 P18405 3/20 0.41
PIN1 Q13526 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL12452306 1.00 PRCP (0.44) PRCPIDO1PDPK1SRD5A1PIN1
SCHEMBL17145170 1.00 PRCP (0.44) PRCPIDO1PDPK1SRD5A1PIN1
SCHEMBL9456547 0.85 PRCP (0.42) PRCPIDO1PDPK1SRD5A1PIN1
SCHEMBL10283336 0.83 OPRM1 (0.41) PRCPSIGMAR1
SCHEMBL20476267 0.82 PIN1 (0.42) PRCPPDPK1SRD5A1PIN1
SCHEMBL12452034 0.78 CYP19A1 (0.46) SIGMAR1
SCHEMBL12452014 0.77 DRD2 (0.47) IDO1PDPK1SRD5A1PIN1CYP11B2
SCHEMBL20662893 0.77 PRCP (0.47) PRCPIDO1PDPK1SRD5A1SIGMAR1
SCHEMBL14065441 0.77 IDO1 (0.46) IDO1PDPK1SRD5A1PIN1SIGMAR1
SCHEMBL10283375 0.77 DRD2 (0.47) IDO1PDPK1SRD5A1PIN1CYP11B2

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
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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 (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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PRCP 422/4885IDO1 744/4885PDPK1 248/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PRCP 422/4885IDO1 744/4885PDPK1 248/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PRCP 422/4885IDO1 744/4885PDPK1 248/4885

“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.