SCHEMBL6439753

SCHEMBL6439753

O=C(NC(Cc1ccccc1)C(=O)CCl)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.62
CTSL P07711 3/20 0.61
CTSB P07858 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CTRB1 P17538 2/20 0.58
CTSG P08311 1/20 0.56
CMA1 P23946 1/20 0.56
ACE P12821 1/20 0.54

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
SCHEMBL7490981 1.00 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4980616 1.00 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6489247 0.92 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7267663 0.92 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7269586 0.90 HDAC8 (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9754234 0.88 CTSL (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11145746 0.88 CTSL (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7493291 0.87 CTSG (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7487532 0.87 CTSG (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7487527 0.87 CTSG (0.55) TACR1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP claimed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US claimed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP claimed
US-7157495-B2 Hexahydrofuro[2,3-B]furan-3-YL-N-{3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate as retroviral protease inhibitor TIBOTEC PHARMACEUTICALS, LTD. (IE) 2007-01-02 US disclosed
US-6924397-B2 Process for the preparation of α-chloroketones from alkyl esters BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 US disclosed
US-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
EP-0754669-B1 PROCESSES FOR PRODUCING ALPHA-HALO KETONES, ALPHA-HALOHYDRINS AND EPOXIDES KANEKA CORP (JP) 2001-10-31 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed
US-5902887-A Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO., INC. (JP) 1999-05-11 US disclosed
EP-0754669-A1 PROCESSES FOR PRODUCING ALPHA-HALO KETONES, ALPHA-HALOHYDRINS AND EPOXIDES KANEKA CORPORATION (JP) 1997-01-22 EP 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-20050090670-A1 PROCESS FOR THE PREPARATION OF ALPHA-CHLOROKETONES FROM ALKYL ESTERS KHK, BCKDK, STS TACR1 3953/4885CTSL 418/4885CTSB 771/4885

“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.