SCHEMBL29320

SCHEMBL29320

CCCCCCCCCCCCCC[S+](C)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
FDPS P14324 7/20 0.37
GGPS1 O95749 3/20 0.37
DNM1 Q05193 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL455670 1.00
Dodecyl Methyl Sulfoxide SCHEMBL313076 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL29144 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL7864589 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL221373 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL5074212 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL224939 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL8587009 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL160437 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS
SCHEMBL5294900 1.00 TSHR (0.47) TSHRTHRBCES2CES1FDPS

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 1541 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124499-B2 Pharmaceutical composition derived from Tecoma plant and a method for treating cancer NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-09-21 US claimed
US-20200247786-A1 PHARMACEUTICAL COMPOSITION DERIVED FROM TECOMA PLANT AND A METHOD FOR TREATING CANCER NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-08-06 US claimed
US-10292972-B1 Pharmaceutical composition for treating cancer and a method thereof KING ABDULAZIZ UNIVERSITY (SA) 2019-05-21 US claimed
US-20190125732-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND A METHOD THEREOF KING ABDULAZIZ UNIVERSITY (SA) 2019-05-02 US claimed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US claimed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US claimed
US-8852648-B2 Delivery of biologically-active agents using volatile, hydrophobic solvents ROCHAL INDUSTRIES, LLP (US) 2014-10-07 US claimed
US-20140127320-A1 DELIVERY OF BIOLOGICALLY-ACTIVE AGENTS USING VOLATILE, HYDROPHOBIC SOLVENTS ROCHAL INDUSTRIES, LLP (US) 2014-05-08 US claimed
US-20130071450-A1 GELS FOR TRANSDERMAL DELIVERY COVIDIEN LP (US) 2013-03-21 US claimed
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 US claimed
US-20110230816-A1 Gels for Transdermal Delivery TYCO HEALTHCARE GROUP LP (US) 2011-09-22 US claimed
WO-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 WO claimed
CN-101605458-A High dose, long acting ectoparasiticides for extended control WYETH CORP (US) 2009-12-16 CN claimed
EP-2120583-A2 HIGH-DOSE, LONG-ACTING ECTOPARASITICIDE FOR EXTENDED CONTROL Wyeth (US) 2009-11-25 EP claimed
WO-2008098168-A2 HIGH-DOSE, LONG-ACTING ECTOPARASITICIDE FOR EXTENDED CONTROL WYETH (US) 2008-08-14 WO claimed
US-20080112993-A1 High-dose, long-lasting ectoparasiticide for extended control WYETH (US) 2008-05-15 US claimed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US claimed
WO-2005077377-A1 COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-08-25 WO claimed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC TSHR 4193/4885THRB 3355/4885CES2 3667/4885
US-20080112993-A1 High-dose, long-lasting ectoparasiticide for extended control VEGFA, ENPP3, ESYT2 TSHR 4287/4885THRB 4406/4885CES2 1183/4885
US-10292972-B1 Pharmaceutical composition for treating cancer and a method thereof SYMPK, ITPA, HRAS TSHR 3855/4885THRB 2741/4885CES2 4043/4885
US-20200247786-A1 PHARMACEUTICAL COMPOSITION DERIVED FROM TECOMA PLANT AND A METHOD FOR TREATING CANCER TEC, TMSB10, MALT1 TSHR 2145/4885THRB 474/4885CES2 4571/4885
US-20190125732-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER AND A METHOD THEREOF SYMPK, ITPA, HRAS TSHR 3855/4885THRB 2741/4885CES2 4043/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 TSHR 3939/4885THRB 3404/4885CES2 3486/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 TSHR 3878/4885THRB 2341/4885CES2 4195/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 TSHR 4546/4885THRB 4384/4885CES2 1946/4885
US-11124499-B2 Pharmaceutical composition derived from Tecoma plant and a method for treating cancer TEC, TMSB10, MALT1 TSHR 2145/4885THRB 474/4885CES2 4571/4885

“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.