SCHEMBL1688825

SCHEMBL1688825

CCC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.59
CTSS P25774 7/20 0.59
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CAPN1 P07384 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
SCHEMBL15435539 1.00 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12808094 0.91 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1372787 0.91 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL241915 0.91 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12069015 0.89 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12071191 0.89 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12070120 0.89 CYP1A2 (0.64) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL27946249 0.87 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL21423545 0.86 CTSK (0.54) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16473197 0.86 CTSK (0.54) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209429-A Photoreactive lysine and hydrochloride thereof, preparation method and application 河北百灵威超精细材料有限公司 2023-12-12 CN disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 CTSK 2268/4885CTSS 2446/4885CYP1A2 4669/4885
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CTSK 4427/4885CTSS 4745/4885CYP1A2 4533/4885

“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.