Sugi Predict

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SCHEMBL14821040

SCHEMBL14821040

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.55
▸ SIRT2 Q8IXJ6 7/20 0.50
▸ SIRT1 Q96EB6 6/20 0.50
▸ CALCRL Q16602 1/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ KDM1A O60341 4/20 0.46
▸ MAOA P21397 2/20 0.46
▸ RCOR1 Q9UKL0 2/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46
▸ SIRT5 Q9NXA8 2/20 0.46

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
SCHEMBL18494988 1.00 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL17706674 1.00 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL14872058 0.93 SSTR3 (0.55) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL19403504 0.91 SSTR3 (0.54) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL12245289 0.88 SSTR3 (0.53) SSTR3SIRT2SIRT1CALCRLECE1
SCHEMBL16479322 0.87 SSTR3 (0.53) SSTR3SIRT2SIRT1CALCRLLTA4H
SCHEMBL22096459 0.87 SSTR3 (0.51) SSTR3SIRT2SIRT1CALCRLLTA4H
SCHEMBL24101424 0.86 SSTR3 (0.54) SSTR3CALCRLLTA4HMMP3KDM1A
SCHEMBL13684815 0.86 SSTR3 (0.56) SSTR3CALCRLLTA4HMMP3
SCHEMBL20420459 0.86 CALCRL (0.56) SSTR3CALCRLLTA4HMMP3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572349-B2 Selective sulfonation of benzodiazepine derivatives IMMUNOGEN, INC. (US) 2023-02-07 — — US disclosed
US-20210101871-A1 SELECTIVE SULFONATION OF BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2021-04-08 — — US disclosed
US-20200054761-A1 METHODS AND COMPOSITION FOR INHIBITING TUMOR GROWTH AND ENHANCING IMMUNE RESPONSES TO TUMORS THOMAS JEFFERSON UNIVERSITY (US) 2020-02-20 — — US disclosed
US-20190070305-A1 BENZODIAZEPINES AND CONJUGATES THEREOF IMMUNOGEN, INC. 2019-03-07 — — US disclosed
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 — — US disclosed
EP-2935268-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2017-11-22 — — EP disclosed
US-20170266315-A1 ANTI-DLL3 ANTIBODY DRUG CONJUGATES FOR TREATING CANCER ABBVIE STEMCENTRX LLC (US) 2017-09-21 — — US disclosed
US-9732084-B2 Pyrrolobenzodiazepines used to treat proliferative diseases MEDIMMUNE LIMITED (GB) 2017-08-15 — — US disclosed
US-9567340-B2 Unsymmetrical pyrrolobenzodiazepines-dimers for use in the treatment of proliferative and autoimmune diseases MEDIMMUNE LIMITED (GB) 2017-02-14 — — US disclosed
WO-2016166301-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES VAN BERKEL PATRICIUS HENDRIKUS CORNELIS (CH) 2016-10-20 — — WO disclosed
WO-2016166298-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES VAN BERKEL PATRICIUS HENDRIKUS CORNELIS (CH) 2016-10-20 — — WO disclosed
WO-2016166300-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES VAN BERKEL PATRICIUS HENDRIKUS CORNELIS (CH) 2016-10-20 — — WO disclosed
WO-2014174111-A1 AXL ANTIBODY-DRUG CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2014-10-30 — — WO disclosed
WO-2014096368-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-06-26 — — WO disclosed
WO-2014057122-A1 PYRROLOBENZODIAZEPINE-ANTI-CD22 ANTIBODY CONJUGATES ADC THERAPEUTICS SÀRL (CH) 2014-04-17 — — WO disclosed
WO-2014057115-A1 PYRROLOBENZODIAZEPINE-ANTI-HER2 ANTIBODY CONJUGATES ADC THERAPEUTICS SÀRL (CH) 2014-04-17 — — WO disclosed
US-20140066435-A1 PYRROLOBENZODIAZEPINES USED TO TREAT PROLIFERATIVE DISEASES SPIROGEN SARL (CH) 2014-03-06 — — US disclosed
WO-2013041606-A1 PYRROLOBENZODIAZEPINES AS UNSYMMETRICAL DIMERIC PBD COMPOUNDS FOR INCLUSION IN TARGETED CONJUGATES SPIROGEN SÀRL (CH) 2013-03-28 — — 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 (7 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-20170266315-A1 ANTI-DLL3 ANTIBODY DRUG CONJUGATES FOR TREATING CANCER DLK1, DYNLL1, DYNLL2 SSTR3 3727/4885SIRT2 2846/4885SIRT1 3203/4885
US-20210101871-A1 SELECTIVE SULFONATION OF BENZODIAZEPINE DERIVATIVES GABRA2, GABRA4, GABRA1 SSTR3 1428/4885SIRT2 4564/4885SIRT1 4773/4885
US-11572349-B2 Selective sulfonation of benzodiazepine derivatives GABRA2, GABRA4, GABRA1 SSTR3 1428/4885SIRT2 4564/4885SIRT1 4773/4885
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 SSTR3 2455/4885SIRT2 2627/4885SIRT1 2250/4885
US-20140066435-A1 PYRROLOBENZODIAZEPINES USED TO TREAT PROLIFERATIVE DISEASES CCNB2, CCNB3, BCL6B SSTR3 401/4885SIRT2 1425/4885SIRT1 1787/4885
US-20200054761-A1 METHODS AND COMPOSITION FOR INHIBITING TUMOR GROWTH AND ENHANCING IMMUNE RESPONSES TO TUMORS MSR1, CD209, CD14 SSTR3 308/4885SIRT2 3161/4885SIRT1 2699/4885
US-20190070305-A1 BENZODIAZEPINES AND CONJUGATES THEREOF GABBR1, GABRA1, GABBR2 SSTR3 838/4885SIRT2 3551/4885SIRT1 2663/4885

“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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