SCHEMBL4949767

SCHEMBL4949767

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.64
CTRB1 P17538 2/20 0.62
TACR1 P25103 3/20 0.59
CTSD P07339 1/20 0.56
CTSB P07858 3/20 0.55
CTSK P43235 4/20 0.54
CTSL P07711 3/20 0.54
CTSS P25774 3/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.51

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
SCHEMBL2736218 1.00 TRPM8 (0.64) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL7337287 1.00 TRPM8 (0.64) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL5916913 1.00 TRPM8 (0.64) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL2736202 1.00 TRPM8 (0.64) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL9421829 1.00 TRPM8 (0.64) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL15241328 0.92 TRPM8 (0.56) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL12249402 0.92 TRPM8 (0.59) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL7221074 0.92 TRPM8 (0.56) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL12249357 0.92 TRPM8 (0.59) TRPM8CTRB1TACR1CTSDCTSB
SCHEMBL6925966 0.92 TRPM8 (0.56) TRPM8CTRB1TACR1CTSDCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302468-B1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LAB (US) 2008-12-17 EP disclosed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 US disclosed
EP-1090914-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2003-01-02 EP disclosed
EP-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 EP disclosed
EP-0732923-B1 Pharmaceutical compositions containing HIV protease inhibitors ABBOTT LAB (US) 2001-12-12 EP disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US disclosed
US-5484801-A Pharmaceutical composition for inhibiting HIV protease ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
EP-0674513-A4 1995-10-25 EP disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
WO-1995020384-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-08-03 WO disclosed
WO-1995009614-A1 PHARMACEUTICAL COMPOSITION ABBOTT LABORATORIES (US) 1995-04-13 WO disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
WO-1993023361-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED DIAMINODIOL ABBOTT LABORATORIES (US) 1993-11-25 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 TRPM8 4395/4885CTRB1 172/4885TACR1 3233/4885

“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.