SCHEMBL6936207

SCHEMBL6936207

CC1(C)[C@H]2C[C@@H](CC=CCCCC(=O)O)[C@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 1.00
TBXA2R P21731 7/20 1.00

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
SCHEMBL1224329 1.00 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6935578 1.00 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL633588 1.00 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6936201 1.00 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6150895 1.00 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL633484 0.90 PTGDR (1.00) PTGDRTBXA2R
SCHEMBL6866936 0.85 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL4648170 0.85 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL6866940 0.85 PTGDR (0.74) PTGDRTBXA2R
SCHEMBL5176774 0.85 PTGDR (0.74) PTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists SHIONOGI & CO., LTD. 2003-02-06 US disclosed
US-6506789-B2 For prophylaxis and therapy of itching derived from contact dermatitis, allergic conjunctivitis, urticaria, atopic dermatitis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-0944614-B1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO (JP) 2002-09-11 EP disclosed
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 US disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 EP disclosed
US-6083974-A BENZOTHIOPHENECARBOXAMIDE CONTAINING NORPINANE RING IS USEFUL FOR PREVENTING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-07-04 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 (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-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 PTGDR 4/4885TBXA2R 18/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 PTGDR 4/4885TBXA2R 18/4885

“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.