SCHEMBL17212822

SCHEMBL17212822

C[C@@H](C=O)OC(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 2/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL18133571 0.84 TSHR (0.47) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL30196124 0.83 TSHR (0.44) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL31426665 0.83 ALDH1A1 (0.37) TSHRSMN1; SMN2LMNAPOLBCYP1A2
SCHEMBL30441598 0.81 ALDH1A1 (0.40) TSHRSMN1; SMN2LMNAPOLBCYP1A2
SCHEMBL12206737 0.81 TSHR (0.55) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL15818627 0.80 TSHR (0.44) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL15818630 0.80 TSHR (0.44) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL15818631 0.80 TSHR (0.44) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL296555 0.79 TSHR (0.53) TSHRSMN1; SMN2USP2RECQLPKM
SCHEMBL697035 0.79 TSHR (0.53) TSHRSMN1; SMN2USP2RECQLPKM

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-9771377-B2 Synthesis of FR901464 and analogs with antitumor activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-09-26 US disclosed
US-9771377-B2 Synthesis of FR901464 and analogs with antitumor activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-09-26 US disclosed
US-20150307512-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-10-29 US disclosed
US-20150307512-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-10-29 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-20150307512-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB TSHR 1762/4885SMN1; SMN2 425/4885USP2 3739/4885

“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.