SCHEMBL1709955

SCHEMBL1709955

CCSCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.53
KDM4E B2RXH2 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PRKCI P41743 1/20 0.43
LMNA P02545 1/20 0.41
QPCT Q16769 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL23120204 0.96 TBXAS1 (0.50) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL25948430 0.89 TBXAS1 (0.59) TBXAS1KDM4ETP53ALDH1A1PRKCI
Imidazole SCHEMBL11011481 0.87 TBXAS1 (0.42) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL21408418 0.85 TBXAS1 (0.58) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL21408577 0.85 TBXAS1 (0.58) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL8600458 0.80 TBXAS1 (0.52) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL12105110 0.79
Diethyl Sulfide SCHEMBL31278250 0.79 TBXAS1 (0.47) TBXAS1KDM4EEGLN3ALDH1A1PRKCI
SCHEMBL8495419 0.79 TBXAS1 (0.60) TBXAS1KDM4ETP53TSHREGLN3
SCHEMBL9046908 0.78 TBXAS1 (0.50) TBXAS1KDM4ETP53TSHREGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493511-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2016-11-15 US disclosed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 US disclosed
EP-1730167-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 WO disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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 (2 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-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 TBXAS1 483/4885KDM4E 4669/4885TP53 1195/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 TBXAS1 483/4885KDM4E 4669/4885TP53 1195/4885

“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.