SCHEMBL989833

SCHEMBL989833

C[C@@H](c1ccccc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 18/20 1.00
TBXA2R P21731 13/20 1.00
PDE2A O00408 6/20 0.86
PTGER1 P34995 1/20 0.83
PTGER4 P35408 1/20 0.83
PTGFR P43088 1/20 0.83
PTGER3 P43115 1/20 0.83
PTGER2 P43116 1/20 0.83
PTGIR P43119 1/20 0.83

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
SCHEMBL6469510 1.00 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL990414 0.96 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL6097496 0.93 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL1255195 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL20531411 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL990595 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL1255151 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL5824247 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL6521839 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4
SCHEMBL991836 0.92 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGER4

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-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA LTD. (CA) 2005-07-14 US claimed
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
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-7019022-B2 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA & CO. (CA) 2006-03-28 US disclosed
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA LTD. (CA) 2005-07-14 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 (4 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 PTGDR 10/4885TBXA2R 888/4885PDE2A 558/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 PTGDR 10/4885TBXA2R 888/4885PDE2A 558/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 PTGDR 10/4885TBXA2R 888/4885PDE2A 558/4885
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives PTGIR, PTGDR, PTGDR2 PTGDR 2/4885TBXA2R 10/4885PDE2A 1080/4885

“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.