SCHEMBL7014449

SCHEMBL7014449

CN(C(=O)CCSc1nc2cc(Cl)ccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.58
TMEM97 Q5BJF2 2/20 0.43
PPARA Q07869 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1D1 P20393 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7016060 0.88 ALOX5 (0.64) ALOX5TMEM97PPARAKMT2AALDH1A1
SCHEMBL7014446 0.79 HDAC6 (0.47) KMT2AMEN1NR1D1
SCHEMBL7018813 0.78 PYGL (0.47) KMT2AMEN1
SCHEMBL6733921 0.76 PPARA (0.52) ALOX5PPARAKMT2AMEN1ALDH1A1
SCHEMBL7016258 0.70 MEN1 (0.45) KMT2AMEN1
SCHEMBL10830747 0.69 ALOX5 (0.72) ALOX5TMEM97PPARAKMT2AMEN1
SCHEMBL7014965 0.69 F10 (0.47) KMT2AMEN1
SCHEMBL7015590 0.69 F10 (0.47) KMT2AMEN1
SCHEMBL2773958 0.69 DYRK1A (0.58) PPARAKMT2AMEN1ALDH1A1TSHR
SCHEMBL24365157 0.69 NPC1 (0.48) PPARAKMT2AMEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ALOX5 2020/4885TMEM97 3732/4885PPARA 3686/4885

“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.