SCHEMBL2108064

SCHEMBL2108064

CCCCCNC(=S)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.41
EPHX1 P07099 6/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
CASP2 P42575 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11725057 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11726657 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11727025 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11727348 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11729895 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11729772 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11724194 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL10546875 0.98 SPHK1 (0.44) SPHK1EPHX1EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL11730024 0.96 SPHK1 (0.46) SPHK1EPHX1EPHX2MEN1KMT2A
SCHEMBL11729901 0.89 EPHX2 (0.57) EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158806-B2 DAT1 DEPARTMENT OF BIOTECHNOLOGY (IN) 2012-04-17 US disclosed
US-20090298177-A1 DAT1 DEPARTMENT OF BIOTECHNOLOGY (IN) 2009-12-03 US disclosed
US-20090018341-A1 DAT1 DEPARTMENT OF BIOTECHNOLOGY (IN) 2009-01-15 US disclosed
US-20080132709-A1 Dat1 DEPARTMENT OF BIOTECHNOLOGY (IN) 2008-06-05 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-20090298177-A1 DAT1 TUBB1, TUBB6, TUBB SPHK1 3995/4885EPHX1 4181/4885EPHX2 4664/4885
US-20090018341-A1 DAT1 TUBB1, TUBB6, TUBB SPHK1 3995/4885EPHX1 4181/4885EPHX2 4664/4885
US-20080132709-A1 Dat1 TUBB1, TUBB6, TUBB SPHK1 3995/4885EPHX1 4181/4885EPHX2 4664/4885

“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.