SCHEMBL12937253

SCHEMBL12937253

CC(C)C1CCC(C)(C)c2ccc(-c3csc(N4CCC(N)CC4)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ PTPN6 P29350 1/20 0.45
▸ CDC25A P30304 1/20 0.45
▸ SMN1; SMN2 Q16637 14/20 0.42
▸ RAB9A P51151 11/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ AR P10275 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL2226342 0.86 PTPN1 (0.51) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL12806085 0.85 PTPN1 (0.50) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Bromide SCHEMBL12805772 0.85 PTPN1 (0.50) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12516266 0.84 ALDH1A1 (0.38) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12515933 0.82 PTPN1 (0.47) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL12937251 0.82 PTPN1 (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2224216 0.82 PTPN1 (0.47) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222099 0.81 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2223877 0.81 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A
SCHEMBL2222107 0.81 CTSL (0.48) PTPN1PTPN6CDC25ASMN1; SMN2RAB9A

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-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — 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 (1 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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 PTPN1 1189/4885PTPN6 1363/4885CDC25A 816/4885

“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.

Send feedback