SCHEMBL992425

SCHEMBL992425

O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(S(=O)(=O)CF)cc21

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.82
PTGDR Q13258 15/20 0.82
PDE2A O00408 3/20 0.60
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL9518806 0.90 TBXA2R (1.00) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL9518358 0.88 TBXA2R (0.85) TBXA2RPTGDRPDE2A
SCHEMBL9277313 0.86 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL9518334 0.84 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL9518347 0.84 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL10413594 0.84 TBXA2R (0.96) TBXA2RPTGDRPDE2A
SCHEMBL9518236 0.83 TBXA2R (0.78) TBXA2RPTGDRPDE2A
SCHEMBL9518216 0.82 TBXA2R (0.73) TBXA2RPTGDRPDE2A
SCHEMBL9521476 0.81 TBXA2R (1.00) TBXA2RPTGDRPDE2A
SCHEMBL9518365 0.81 TBXA2R (0.75) TBXA2RPTGDRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
EP-3175856-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS The Trustees of the University of Pennsylvania (US) 2017-06-07 EP disclosed
EP-2037967-B1 PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS FOR TREATING ANDROGENETIC ALOPECIA UNIV PENNSYLVANIA (US) 2016-12-07 EP disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
US-20070299122-A1 Method of Treating Pathological Blushing MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 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 (6 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-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 TBXA2R 888/4885PTGDR 10/4885PDE2A 558/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 TBXA2R 888/4885PTGDR 10/4885PDE2A 558/4885
US-20070299122-A1 Method of Treating Pathological Blushing BDKRB2, BDKRB1, PTGIR TBXA2R 9/4885PTGDR 11/4885PDE2A 330/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 TBXA2R 53/4885PTGDR 518/4885PDE2A 1181/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 TBXA2R 888/4885PTGDR 10/4885PDE2A 558/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 TBXA2R 37/4885PTGDR 201/4885PDE2A 1108/4885

“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.