SCHEMBL5225102

SCHEMBL5225102

O=C(O)c1cc(O)cc(O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
TSHR P16473 3/20 0.50
PTGS2 P35354 3/20 0.50
ALOX5 P09917 1/20 0.50
CYP3A4 P08684 5/20 0.45
HCAR1 Q9BXC0 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 2/20 0.39

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
SCHEMBL11025892 0.82 HSD17B10 (0.56) CA1CA2ALDH1A1CA12CA7
SCHEMBL8820653 0.82 CYP3A4 (0.61) CA1CA2ALDH1A1CA12CA7
SCHEMBL23706746 0.78 CYP3A4 (0.60) CA1CA2ALDH1A1CA12CA7
SCHEMBL11948618 0.78 AKR1C3 (0.53) CA1CA2ALDH1A1CA12CA7
SCHEMBL10316093 0.78 CYP3A4 (0.68) CA1CA2ALDH1A1CA12CA7
SCHEMBL20503756 0.78 AKR1C4 (0.44) CA1CA2ALDH1A1CA12CA7
SCHEMBL11881446 0.77 HPGD (0.59) CA1ALDH1A1CA12CA9TSHR
SCHEMBL907550 0.76 CA12 (0.60) CA1CA2ALDH1A1CA12CA7
SCHEMBL29421908 0.76 CA12 (0.60) CA1CA2ALDH1A1CA12CA7
SCHEMBL2127547 0.74 CYP3A4 (0.59) CA1CA2ALDH1A1CA12CA7

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
EP-0623339-B1 Use of 4-,4- and 5-, or 4- and 6-substituted derivatives of resorcin in cosmetic or dermopharmaceutical compositions for depigmentation OREAL (FR) 1997-07-23 EP claimed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 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
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 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-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-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO 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 CA1 4146/4885CA2 3778/4885ALDH1A1 3232/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP CA1 2796/4885CA2 3472/4885ALDH1A1 1046/4885

“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.