SCHEMBL9902894

SCHEMBL9902894

C/C=C\c1csc2c1O[C@@H](C)CN(C(=O)O)C2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9902897 1.00 LMNA (0.31) LMNASMN1; SMN2POLBALDH1A1CYP1A2
SCHEMBL9903354 0.81 SMN1; SMN2 (0.33) LMNASMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL9903873 0.79 SMN1; SMN2 (0.32) SMN1; SMN2HPGD
SCHEMBL9903405 0.78 GPR35 (0.35) SMN1; SMN2
SCHEMBL9902728 0.78 GLRA1 (0.36) SMN1; SMN2
SCHEMBL9903657 0.78 GLRA1 (0.36) SMN1; SMN2
SCHEMBL9903307 0.78 GPR35 (0.35) SMN1; SMN2
SCHEMBL9903582 0.76 SMN1; SMN2 (0.30) SMN1; SMN2ALDH1A1HPGD
SCHEMBL9903396 0.73
SCHEMBL9903595 0.72 GRM2 (0.38) SMN1; SMN2POLBALDH1A1HPGD

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-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 EP 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-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A LMNA 3542/4885SMN1; SMN2 3302/4885POLB 4590/4885

“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.