SCHEMBL1476670

SCHEMBL1476670

CN(C)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.63
SMAD3 P84022 1/20 0.60
KDM4E B2RXH2 4/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PDPK1 O15530 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
APEX1 P27695 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SRD5A2 P31213 2/20 0.54
MAPT P10636 1/20 0.54
DAO P14920 1/20 0.54
KMT2A Q03164 1/20 0.51
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL3602545 0.87 EIF4A3 (0.58) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL30180701 0.87 EIF4A3 (0.58) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL6512084 0.86 PIN1 (0.58) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL24872303 0.85 KDR (0.48) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL20764374 0.84 NPC1 (0.54) PIN1SMAD3KDM4EHSD17B10HPGD
Indole-2-Carboxylic Acid SCHEMBL6517127 0.83 KDM4E (0.56) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL6513729 0.83 KDM4E (0.58) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL22718578 0.80 KCNK3 (0.55) PIN1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1474801 0.79 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL6518462 0.79 PIN1 (0.54) PIN1SMAD3KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO disclosed
EP-0273418-B1 Heat-sensitive recording material using chromeno compound KANZAKI PAPER MFG CO LTD (JP) 1993-11-24 EP disclosed
EP-0249885-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1992-01-02 EP disclosed
EP-0234540-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-10-16 EP disclosed
US-4803193-A COLORFASTNESS; READABLE BY OPTICAL CHARACTER-READING DEVICES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1989-02-07 US disclosed
US-4794101-A MIXTURE OF PHTHALIDE DYE, FLUORAN COMPOUND AND POLYVALENT METAL SALT OF AN AROMATIC CARBOXYLIC ACID KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-12-27 US disclosed
EP-0273418-A2 Heat-sensitive recording material using chromeno compound KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-07-06 EP disclosed
US-4731353-A METAL SALT OF INDOLE-2-CARBOXYLIC ACID COLOR DEVELOPER KANZAKI PAPER MANUFACTURING COMPANY, LIMITED (JP) 1988-03-15 US 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 (3 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK PIN1 1289/4885SMAD3 2119/4885KDM4E 1508/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK PIN1 595/4885SMAD3 674/4885KDM4E 2541/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK PIN1 672/4885SMAD3 769/4885KDM4E 2528/4885

“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.