SCHEMBL4081144

SCHEMBL4081144

CCCCCN[C@@H](C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
EPHX1 P07099 8/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
BIRC2 Q13490 2/20 0.45
TSHR P16473 1/20 0.42
FURIN P09958 1/20 0.41
CA14 Q9ULX7 2/20 0.41
FAAH O00519 1/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL28756830 1.00 ZDHHC7 (0.47) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL30446888 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL28480851 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL7366969 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL11654823 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL23211686 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL6702851 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL28357307 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL29268681 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
Hydrochloric Acid SCHEMBL10958870 0.96 ZDHHC7 (0.49) ZDHHC7EPHX1CA2CA1BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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 (5 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 ZDHHC7 4182/4885EPHX1 349/4885CA2 3413/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 ZDHHC7 1656/4885EPHX1 111/4885CA2 3947/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ZDHHC7 3412/4885EPHX1 207/4885CA2 4187/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 ZDHHC7 2646/4885EPHX1 203/4885CA2 3920/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ZDHHC7 2335/4885EPHX1 162/4885CA2 4006/4885

“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.