SCHEMBL29761503

SCHEMBL29761503

CCC1(NC(=O)OCc2ccccc2)CC=CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL16219332 0.88 CTSL (0.52) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL15575112 0.86 NPC1 (0.50) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL10239127 0.82 CTSL (0.47) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL1974652 0.81 CTSB (0.51) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL17749018 0.80 CTSL (0.46) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL28412950 0.78 CTSS (0.47) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL4695521 0.78 PPID (0.51) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL381668 0.78 CTSL (0.50) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL20744116 0.77 JAK2 (0.47) CTSLCTSBCTSSNPC1RAB9A
SCHEMBL30184830 0.77 CTSS (0.43) CTSLCTSBCTSSNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 CTSL 3605/4885CTSB 2199/4885CTSS 3717/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 CTSL 3605/4885CTSB 2199/4885CTSS 3717/4885

“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.