SCHEMBL3988070

SCHEMBL3988070

COC(=O)[C@H](Cc1ccccc1)NC(=S)c1ccccc1-c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
ELANE P08246 2/20 0.52
TACR3 P29371 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
ATM Q13315 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46

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
SCHEMBL13940580 0.96 ALDH1A1 (0.58) ALDH1A1LMNAGLAELANETACR3
SCHEMBL3988883 0.95 ALDH1A1 (0.56) ALDH1A1LMNAGLAELANEATM
SCHEMBL8279855 0.94 TSHR (0.53) ALDH1A1LMNAGLAELANETACR3
SCHEMBL13940576 0.92 ALDH1A1 (0.60) ALDH1A1LMNAGLATACR3KDM4E
SCHEMBL13940594 0.89 KDR (0.56) ALDH1A1LMNAGLAELANETACR3
SCHEMBL8334773 0.86 TSHR (0.60) ALDH1A1ELANETACR3KDM4EPKM
SCHEMBL8334980 0.86 ALDH1A1 (0.57) ALDH1A1LMNAGLAELANETACR3
SCHEMBL3988880 0.85 ALDH1A1 (0.44) ALDH1A1LMNAGLAELANEATM
SCHEMBL8337801 0.84 L3MBTL1 (0.60) ELANEL3MBTL1KMT2A
SCHEMBL13940590 0.83 TSHR (0.56) ALDH1A1LMNAGLAATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476754-B2 Biphenyl derived thiamides as calpain inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2009-01-13 US claimed
US-20070270480-A1 Biphenyl Derived Thiamides as Calpain Inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-11-22 US claimed
EP-1743883-A1 USE OF BIPHENYL-DERIVED THIAMIDES AS CALPAIN INHIBITORS Consejo Superior de Investigaciones Cientificas (ES) 2007-01-17 EP claimed
US-7476754-B2 Biphenyl derived thiamides as calpain inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2009-01-13 US disclosed
US-20070270480-A1 Biphenyl Derived Thiamides as Calpain Inhibitors CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-11-22 US disclosed
EP-1743883-A1 USE OF BIPHENYL-DERIVED THIAMIDES AS CALPAIN INHIBITORS Consejo Superior de Investigaciones Cientificas (ES) 2007-01-17 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-20070270480-A1 Biphenyl Derived Thiamides as Calpain Inhibitors CAPN1, CAPN2, CAPNS1 ALDH1A1 1748/4885LMNA 1817/4885GLA 2934/4885

“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.