SCHEMBL2250201

SCHEMBL2250201

CCS(=O)(=O)[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
NR1H2 P55055 2/20 0.38
AGTR2 P50052 2/20 0.37
HSD11B1 P28845 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
HTRA1 Q92743 1/20 0.33

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
SCHEMBL700342 0.87 SMN1; SMN2 (0.43) HSD17B10SMN1; SMN2CTSLCTSBCTSS
SCHEMBL23925766 0.86 HSD17B10 (0.42) HSD17B10SMN1; SMN2CTSLCTSBCTSS
SCHEMBL696186 0.86 HSD17B10 (0.42) HSD17B10SMN1; SMN2CTSLCTSBCTSS
SCHEMBL23925765 0.86 HSD17B10 (0.42) HSD17B10SMN1; SMN2CTSLCTSBCTSS
SCHEMBL19899315 0.83 STS (0.49) NR1H2AGTR2NR1H3HTRA1
SCHEMBL21104741 0.83 STS (0.49) NR1H2AGTR2NR1H3HTRA1
SCHEMBL19914746 0.79 HTRA1 (0.44) POLBHTRA1
SCHEMBL19899279 0.79 HTRA1 (0.44) POLBHTRA1
SCHEMBL19853319 0.79 HSD17B10 (0.49) HSD17B10SMN1; SMN2NR1H2HSD11B1POLB
SCHEMBL19853293 0.79 HSD17B10 (0.49) HSD17B10SMN1; SMN2NR1H2HSD11B1POLB

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
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 EP disclosed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 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 (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-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSD17B10 3249/4885SMN1; SMN2 4580/4885CTSL 2552/4885

“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.