SCHEMBL4137780

SCHEMBL4137780

CN(Cc1cc(N2CCCCC2=O)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CXCR4 P61073 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MGAT2 Q10469 1/20 0.33

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
SCHEMBL4131329 0.88 HTR2C (0.35) NMT1HTTHPGDNPSR1MGAT2
SCHEMBL3704722 0.87 HTR2C (0.31) NMT1
SCHEMBL3704723 0.84 NMT1 (0.30) NMT1
Hydrochloric Acid SCHEMBL4132114 0.81 CACNA2D1 (0.36) NMT1HTTHPGDTP53KMT2A
SCHEMBL4126794 0.75 CA12 (0.39) HTTHPGDNPSR1ALDH1A1KMT2A
SCHEMBL3651203 0.70 ALDH1A1 (0.37) HPGDTP53ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3645606 0.69 CACNA2D1 (0.31)
SCHEMBL4130659 0.69 ITGB1 (0.38) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL4126163 0.68 PDK1 (0.36) NMT1ALDH1A1LMNA
SCHEMBL4130736 0.68 IDO1 (0.38) KMT2AMEN1

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 NMT1 895/4885HTT 3967/4885HPGD 832/4885

“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.