SCHEMBL1734329

SCHEMBL1734329

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.65
▸ SMAD3 P84022 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ F7 P08709 1/20 0.60
▸ F3 P13726 1/20 0.60
▸ PDPK1 O15530 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ HRH4 Q9H3N8 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.56
▸ SRD5A2 P31213 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ DAO P14920 1/20 0.56

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
SCHEMBL15223730 0.89 HRH4 (0.62) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL1842307 0.87 SMAD3 (0.68) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL29415437 0.87 SMAD3 (0.68) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL6513774 0.87 PIN1 (0.61) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3030827 0.86 EIF4A3 (0.59) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3498709 0.84 EGFR (0.64) PIN1SMAD3PLD2PLD1KMT2A
SCHEMBL4554337 0.84 PIN1 (0.54) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3632014 0.83 MMP2 (0.62) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL6515615 0.82 PIN1 (0.59) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL6517283 0.82 HRH3 (0.59) PIN1SMAD3KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 — — US disclosed
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 — — WO disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 — — US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-2725013-B1 NOVEL HISTONE DEACETYLASE INHIBITOR OF BENZAMIDES AND USE THEREOF SINOPHARM A THINK PHARMACEUTICAL CO LTD (CN) 2018-08-22 — — EP disclosed
US-9428478-B2 Piperazine derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2016-08-30 — — US disclosed
US-9278089-B2 Method of treating HCV infection with a small molecule CHK2 inhibitor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-08 — — US disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 — — EP disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 — — EP disclosed
US-20050137140-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 — — US disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 — — WO disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 — — WO disclosed
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 — — US disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 — — US disclosed
EP-1497282-A2 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4 PROTEASE Vertex Pharmaceuticals Incorporated (US) 2005-01-19 — — EP disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 — — WO disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 — — EP disclosed
US-20040018986-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2004-01-29 — — US disclosed
WO-2003087092-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 - NS4 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-10-23 — — 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 (6 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 PIN1 1185/4885SMAD3 1226/4885KDM4E 2459/4885
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK PIN1 1289/4885SMAD3 2119/4885KDM4E 1508/4885
US-20040018986-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 PIN1 173/4885SMAD3 2436/4885KDM4E 1073/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE PIN1 762/4885SMAD3 3213/4885KDM4E 2390/4885
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 PIN1 3079/4885SMAD3 373/4885KDM4E 1687/4885
US-20050137140-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases PRSS1, SERPINB1, SPINT2 PIN1 316/4885SMAD3 1628/4885KDM4E 1480/4885

“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.

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