SCHEMBL18010285

SCHEMBL18010285

COC(=O)C1CC2(CCC1C(=O)O)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.37
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
SLC6A12 P48065 1/20 0.34
SLC6A11 P48066 1/20 0.34
MMP13 P45452 3/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
C5AR1 P21730 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL16617927 1.00 MMP2 (0.37) MMP2PPM1BPTPN1PPP1CCSLC6A12
SCHEMBL16618180 0.92 MMP2 (0.36) MMP2PPM1BPTPN1PPP1CCMMP13
SCHEMBL16618179 0.92 MMP2 (0.36) MMP2PPM1BPTPN1PPP1CCMMP13
SCHEMBL3240900 0.87 MMP2 (0.40) MMP2PPM1BPTPN1PPP1CCCYP2C19
SCHEMBL31082046 0.87 MMP2 (0.40) MMP2PPM1BPTPN1PPP1CCCYP2C19
SCHEMBL16617788 0.85 SLC6A12 (0.41) SLC6A12SLC6A11POLBTSHRCYP2C19
SCHEMBL31081963 0.83 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL26136436 0.83 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL3240889 0.83 MMP2 (0.40) MMP2CYP2C19MEN1ALDH1A1KMT2A
SCHEMBL10472752 0.78 MMP2 (0.35) MMP2PPM1BPTPN1PPP1CCPOLB

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-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ MMP2 151/4885PPM1B 1789/4885PTPN1 3993/4885

“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.