SCHEMBL9903744

SCHEMBL9903744

CC1CN(C(=O)OC(C)(C)C)Cc2scc(-c3ccccc3F)c2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
CREBBP Q92793 3/20 0.40
NAMPT P43490 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
RORC P51449 1/20 0.37
USP30 Q70CQ3 3/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
IDO1 P14902 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.35
P2RX3 P56373 1/20 0.34
GRM2 Q14416 1/20 0.34
GPR119 Q8TDV5 2/20 0.34

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
SCHEMBL9903489 0.86 GRM2 (0.38) SMN1; SMN2GRM2
SCHEMBL9902640 0.84 BRD4 (0.40) BRD4CREBBPHDAC6USP30HDAC8
SCHEMBL9902442 0.80 BRD4 (0.37) BRD4CREBBPNAMPTRORCUSP30
SCHEMBL9902850 0.79 ABL1 (0.43) BRD4CREBBPUSP30MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11893704 0.79 ABL1 (0.42) BRD4CREBBPUSP30MAPTSMN1; SMN2
SCHEMBL9903900 0.78 NAMPT (0.37) BRD4CREBBPNAMPTSMN1; SMN2GPR119
SCHEMBL9903184 0.77 BRD4 (0.36) BRD4CREBBPNAMPTRORCUSP30
SCHEMBL9903797 0.77 BRD4 (0.36) BRD4CREBBPNAMPTUSP30MAPT
Hydrochloric Acid SCHEMBL11894045 0.76 BRD4 (0.35) BRD4CREBBPNAMPTRORCUSP30
Hydrochloric Acid SCHEMBL11893788 0.76 BRD4 (0.35) BRD4CREBBPNAMPTUSP30MAPT

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 BRD4 550/4885CREBBP 758/4885NAMPT 2133/4885

“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.