SCHEMBL6747612

SCHEMBL6747612

C[C@H](O)[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 2/20 0.49
▸ BACE1 P56817 11/20 0.48
▸ CYP17A1 P05093 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43

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
SCHEMBL6747610 1.00 KLK5 (0.49) KLK5BACE1CYP17A1CA1CA2
SCHEMBL13932832 0.90 CA1 (0.54) KLK5BACE1CYP17A1CA1CA2
SCHEMBL6747622 0.87 KLK5 (0.52) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL6747621 0.87 KLK5 (0.52) KLK5BACE1CYP17A1PSEN1PSEN2
SCHEMBL27796636 0.86 KLK5 (0.63) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL27486450 0.86 KLK5 (0.63) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL8486327 0.86 KLK5 (0.63) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL27502332 0.86 KLK5 (0.63) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL13538225 0.86 KLK5 (0.51) KLK5BACE1CYP17A1PSEN1PSEN2
Hydrochloric Acid SCHEMBL6753321 0.86 KLK5 (0.51) KLK5BACE1CYP17A1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 — — US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 — — US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 — — US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 — — US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 — — 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 (3 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-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 KLK5 4738/4885BACE1 3991/4885CYP17A1 789/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 KLK5 4617/4885BACE1 2900/4885CYP17A1 684/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 KLK5 4756/4885BACE1 4079/4885CYP17A1 735/4885

“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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