SCHEMBL3023447

SCHEMBL3023447

O=C(N[C@@H](Cc1ccccc1)C(O)CCl)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
CTRB1 P17538 2/20 0.57
CTSB P07858 2/20 0.56
SPPL2A Q8TCT8 1/20 0.53
TACR1 P25103 3/20 0.51
CTSL P07711 3/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
ATM Q13315 1/20 0.47
CTSD P07339 1/20 0.47
KLK5 Q9Y337 1/20 0.46

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
SCHEMBL2577615 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL6500127 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL3023446 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL6654213 1.00 TRPM8 (0.58) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL6496841 0.93 TRPM8 (0.52) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL6486738 0.93 TRPM8 (0.52) TRPM8CTRB1CTSBSPPL2ATACR1
SCHEMBL7267940 0.91 ATM (0.58) TRPM8CTRB1CTSBSPPL2ACTSL
SCHEMBL5650179 0.88 KLK5 (0.48) TRPM8CTRB1CTSBSPPL2ACTSL
SCHEMBL7275756 0.88 CTSL (0.55) TRPM8CTRB1CTSBSPPL2ACTSL
SCHEMBL6812568 0.87 TRPM8 (0.60) TRPM8CTRB1CTSBSPPL2ATACR1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE TUNG ROGER D 2010-08-19 US disclosed
US-7608632-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-27 US disclosed
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease TUNG ROGER D 2008-11-27 US disclosed
WO-2008038050-A2 REDUCTION OF ALPHA-HALO KETONES ALMAC SCIENCES LIMITED (GB) 2008-04-03 WO disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 US disclosed
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-24 US disclosed
US-RE38796-E1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO.,INC. (JP) 2005-09-13 US disclosed
US-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
US-6720335-B2 VIRICIDES VERTEX PHARMACEUTICALS INCORPORATED 2004-04-13 US disclosed
EP-0885887-B1 Sulfonamide inhibitors of HIV-Aspartyl protease VERTEX PHARMA (US) 2003-05-28 EP disclosed
US-6004957-A VIRICIDES FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-12-21 US disclosed
US-5977137-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-11-02 US disclosed
US-5902887-A Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO., INC. (JP) 1999-05-11 US disclosed
EP-0659181-B1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMA (US) 1999-04-07 EP disclosed
US-5856353-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-01-05 US disclosed
EP-0885887-A2 Sulfonamide inhibitors of HIV-Aspartyl protease Vertex Pharmaceuticals Incorporated (US) 1998-12-23 EP disclosed
US-5783701-A ANTI-HIV VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-07-21 US disclosed
US-5767316-A REACTING PROTECTED AMINO ACID WITH ALKALI METAL ENOLATE OF ACETATE, HALOGENATING, HYDROLYZING, DECARBOXYLATING AJINOMOTO CO., INC. (JP) 1998-06-16 US disclosed
US-5723490-A THF-containing sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-03-03 US disclosed
EP-0774453-A1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives Ajinomoto Co., Inc. (JP) 1997-05-21 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 (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-20040167116-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP TRPM8 2726/4885CTRB1 250/4885CTSB 139/4885
US-20100210603-A1 NOVEL SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE SPINT2, PRSS1, DNPEP TRPM8 2726/4885CTRB1 250/4885CTSB 139/4885
US-20060189810-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP TRPM8 2726/4885CTRB1 250/4885CTSB 139/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP TRPM8 2726/4885CTRB1 250/4885CTSB 139/4885

“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.