SCHEMBL3988883

SCHEMBL3988883

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
ATM Q13315 2/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 2/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL13940576 0.96 ALDH1A1 (0.60) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL3988070 0.95 ALDH1A1 (0.55) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL13940580 0.91 ALDH1A1 (0.58) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL8279855 0.89 TSHR (0.53) ALDH1A1LMNAGLAELANEGAA
SCHEMBL13940590 0.88 TSHR (0.56) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL3988880 0.85 ALDH1A1 (0.44) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL13940594 0.83 KDR (0.56) ALDH1A1LMNAGLAATMELANE
SCHEMBL14621243 0.82 TSHR (0.51) ALDH1A1LMNAGLAATMCYP2C9
SCHEMBL8334773 0.81 TSHR (0.60) ALDH1A1ELANEGAARAB9A
SCHEMBL3990363 0.81 KMT2A (0.58)

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 7 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
WO-2005108354-A1 USE OF BIPHENYL-DERIVED THIAMIDES AS CALPAIN INHIBITORS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2005-11-17 WO 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.