SCHEMBL13443752

SCHEMBL13443752

CC[C@@H](C(=O)OC)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA14 Q9ULX7 3/20 0.40
CA12 O43570 2/20 0.40
ZDHHC7 Q9NXF8 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
ABCB1 P08183 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
BIRC2 Q13490 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 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
SCHEMBL13443753 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL7433060 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL14601911 0.87 CA1 (0.48) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL16626822 0.87 CA1 (0.48) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL5079956 0.83 CA1 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL8980146 0.83 CA1 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL28291134 0.83 CA1 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL30561836 0.83 CA1 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL18359202 0.83 CA1 (0.42) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL18124656 0.81 CA1 (0.45) SMN1; SMN2CA1CA2CA14CA12

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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS SMN1; SMN2 4462/4885CA1 683/4885CA2 929/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 SMN1; SMN2 3450/4885CA1 4401/4885CA2 4041/4885

“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.