SCHEMBL6754129

SCHEMBL6754129

CCS(=O)(=O)C[C@@H]1CCc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.46
▸ KIF11 P52732 6/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33

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
SCHEMBL6754126 1.00 AR (0.46) ARKIF11SRD5A1MTNR1APKM
SCHEMBL6754125 1.00 AR (0.46) ARKIF11SRD5A1MTNR1APKM
SCHEMBL27654170 0.90 AR (0.52) ARKIF11SRD5A1MTNR1AHTR2A
SCHEMBL30738393 0.90 AR (0.52) ARKIF11SRD5A1MTNR1AHTR2A
Ethoxycarbonyl Group SCHEMBL29291835 0.81 AR (0.46) ARKIF11SRD5A1MTNR1ACYP26A1
SCHEMBL9064740 0.80 AR (0.50) ARMTNR1AHTR2AHTR2CHTR2B
SCHEMBL6754202 0.79 AR (0.38) ARKIF11SRD5A1
SCHEMBL6754201 0.79 AR (0.38) ARKIF11SRD5A1
SCHEMBL6752929 0.79 AR (0.40) ARKIF11SRD5A1MTNR1AHTR2A
SCHEMBL6752928 0.79 AR (0.40) ARKIF11SRD5A1MTNR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 — — US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 — — US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 — — US disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 — — US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 — — US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 — — EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 — — WO 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 (1 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 AR 1167/4885KIF11 4115/4885SRD5A1 45/4885

“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.

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