SCHEMBL5261301

SCHEMBL5261301

CCCCCSNC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ FAAH O00519 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39
▸ GPR84 Q9NQS5 3/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37

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
SCHEMBL5261302 1.00 EPHX1 (0.42) EPHX1FAAHMAPTGMNNTP53
SCHEMBL9506073 0.81 CPB2 (0.42) EPHX1THRBBLMMEN1KMT2A
SCHEMBL9509960 0.81 CPB2 (0.38) THRBBLMKMT2A
SCHEMBL9509958 0.81 CPB2 (0.38) THRBBLMKMT2A
SCHEMBL23042930 0.77 — —
SCHEMBL10896691 0.77 MAPT (0.43) EPHX1MAPTGMNNTP53POLB
SCHEMBL7208095 0.77 MAPT (0.38) EPHX1MAPTGMNNTP53POLB
SCHEMBL7208119 0.77 MAPT (0.38) EPHX1MAPTGMNNTP53POLB
SCHEMBL789713 0.71 HSD17B10 (0.47) EPHX1FAAHMAPTGMNNTP53
SCHEMBL6058015 0.70 KDM4E (0.44) MAPTTHRBBLMSMN1; SMN2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 — — EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 — — EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 — — US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 — — US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 — — EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 — — US disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 — — US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 — — US disclosed
US-6162812-A Pharmaceutical compositions containing HIV protease inhibitors and methods of their use AGOURON PHARMACEUTICALS, INC. (US) 2000-12-19 — — US disclosed
US-5952343-A VIRICIDES; SPECIFICITY; NONTOXIC AGOURON PHARMACEUTICALS, INC. 1999-09-14 — — US disclosed
EP-0744948-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-12-04 — — EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 — — EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 — — EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 — — US disclosed
US-5480887-A FOR HIV, THIENO(3,2-C)PYRIDINE-(6S)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-01-02 — — US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 — — US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 — — WO disclosed
WO-1995020962-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1995-08-10 — — WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 — — WO disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 — — 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 (2 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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 EPHX1 1786/4885FAAH 929/4885MAPT 648/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP EPHX1 1321/4885FAAH 814/4885MAPT 1573/4885

“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.

Send feedback