SCHEMBL2289696

SCHEMBL2289696

COC(=O)C(OC)C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL2579180 0.83
SCHEMBL275279 0.83 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL27310429 0.78 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL2727651 0.76 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL9416774 0.76
SCHEMBL276322 0.76 KMT2A (0.43) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL5840367 0.74 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL11145342 0.72 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL9867193 0.72 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL9867191 0.72 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AALDH1A1

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
US-7989625-B2 Thienopyridines MERCK PATENT GMBH (DE) 2011-08-02 US disclosed
US-20100048558-A1 THIENOPYRIDINES MERCK PATENT GESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 WO 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-20100048558-A1 THIENOPYRIDINES HSP90AB2P, HSP90AB1, HSP90AA1 SMN1; SMN2 3773/4885CA14 4883/4885CA12 4879/4885
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 SMN1; SMN2 2681/4885CA14 1644/4885CA12 1525/4885

“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.