SCHEMBL4119370

SCHEMBL4119370

CN(Cc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccc(CN3CCCC3)c2)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
CXCR4 P61073 2/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 3/20 0.36
APAF1 O14727 1/20 0.35
UBE2N P61088 1/20 0.35
USP19 O94966 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 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
SCHEMBL3654596 0.89 GRM2 (0.38) GRM2CXCR4TSHRSMN1; SMN2LMNA
SCHEMBL3654600 0.88 GRM2 (0.39) GRM2CXCR4TSHRSMN1; SMN2LMNA
SCHEMBL3646535 0.87 HTR6 (0.37) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL4118507 0.86 CA12 (0.37) SMN1; SMN2LMNAMAPK1KDM4EHTT
SCHEMBL4137538 0.85 TSHR (0.42) TSHRSMN1; SMN2LMNAMAPK1HTT
SCHEMBL16333240 0.84 GRM2 (0.40) GRM2TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL4119376 0.84 GRM2 (0.41) GRM2TSHRSMN1; SMN2LMNAMAPK1
Hydrochloric Acid SCHEMBL4131025 0.83 GRM2 (0.39) GRM2TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL4129175 0.83 KAT6A (0.37) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL3651203 0.82 ALDH1A1 (0.37) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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 GRM2 3002/4885CXCR4 3058/4885TSHR 1878/4885

“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.