SCHEMBL25174342

SCHEMBL25174342

CC(C)(C)OC(=O)N1CCC[C@H]1Cc1nc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 13/20 0.63
SPHK1 Q9NYA1 4/20 0.48
EPHB4 P54760 2/20 0.43
TEK Q02763 2/20 0.43
KDR P35968 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL25176627 0.92 SPHK2 (0.72) SPHK2SPHK1
SCHEMBL25177129 0.91 SPHK2 (0.75) SPHK2SPHK1
SCHEMBL25171124 0.89 SPHK2 (0.74) SPHK2SPHK1EPHB4TEKKDR
SCHEMBL29308069 0.88 SPHK2 (0.70) SPHK2SPHK1EPHB4TEK
SCHEMBL25171094 0.88 SPHK2 (0.75) SPHK2SPHK1
SCHEMBL25171095 0.88 SPHK2 (0.58) SPHK2SPHK1
SCHEMBL25176673 0.87 SPHK2 (0.54) SPHK2SPHK1EPHB4TEK
SCHEMBL25176674 0.87 SPHK2 (0.54) SPHK2SPHK1EPHB4TEK
SCHEMBL25176646 0.86 SPHK2 (0.73) SPHK2SPHK1
SCHEMBL25447470 0.86 SPHK2 (0.81) SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037329-B2 SphK inhibitors and methods of making and using same WASHINGTON UNIVERSITY (US) 2024-07-16 US disclosed
US-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY 2023-05-18 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 (2 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-12037329-B2 SphK inhibitors and methods of making and using same SPHK2, SPHK1, CLK2 SPHK2 1/4885SPHK1 2/4885EPHB4 4539/4885
US-20230150990-A1 SPHK INHIBITORS AND METHODS OF MAKING AND USING SAME SPHK2, SPHK1, CLK2 SPHK2 1/4885SPHK1 2/4885EPHB4 4539/4885

“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.