SCHEMBL4756923

SCHEMBL4756923

CS(=O)(=O)N1CCCC([C]=O)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.39
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GLA P06280 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22171147 0.83 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL4225288 0.83 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL1463879 0.81 EPHX2 (0.33) MAPK1
SCHEMBL12449659 0.74 MAPK1 (0.50) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL22644496 0.74 TSHR (0.53) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL5371884 0.74 TSHR (0.53) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL772876 0.74 MAPK1 (0.50) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL12369 0.74 MAPK1 (0.50) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL969793 0.72 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL14136794 0.72 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19

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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR TSHR 71/4885ALDH1A1 3412/4885MAPK1 1379/4885

“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.