SCHEMBL29484060

SCHEMBL29484060

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CN

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ OPRK1 P41145 1/20 0.60
▸ ATM Q13315 2/20 0.59
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ ANPEP P15144 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
Hydrochloric Acid SCHEMBL29628052 0.99 ALDH1A1 (0.64) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Trifluoroacetic Acid SCHEMBL29484051 0.94 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL30581396 0.92 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL28231245 0.92 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL7139809 0.92 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL30581395 0.92 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Hydrochloric Acid SCHEMBL29661828 0.90 OPRK1 (0.67) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Bromide SCHEMBL11571243 0.90 OPRK1 (0.67) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL2739539 0.89 BIRC2 (0.59) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL8212986 0.89 ALDH1A1 (0.73) ALDH1A1CYP2C9CYP2C19THRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides AGENSYS, INC. (US) 2026-04-28 — — US disclosed
US-20250064964-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2025-02-27 — — US disclosed
US-12171839-B2 Antibody drug conjugates for ablating hematopoietic stem cells NOVARTIS AG (CH) 2024-12-24 — — US disclosed
CN-117653740-A Antibody drug conjugates for ablating hematopoietic stem cells 诺华股份有限公司 2024-03-08 — — CN disclosed
CN-110099697-B Antibody drug conjugates for ablating hematopoietic stem cells 诺华股份有限公司 2023-11-28 — — CN disclosed
US-20230129674-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE SIGMA-ALDRICH CO. LLC 2023-04-27 — — US disclosed
EP-4118094-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE Sigma-Aldrich Co. LLC (US) 2023-01-18 — — EP disclosed
CN-115190882-A Efficient preparation of dolastatin and auristatin analogs via common intermediates 西格马-奥尔德里奇有限责任公司 2022-10-14 — — CN disclosed
US-20220305134-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-09-29 — — US disclosed
US-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES AGENSYS, INC. (US) 2022-06-30 — — US disclosed
US-11357864-B2 Antibody drug conjugates for ablating hematopoietic stem cells NOVARTIS AG (CH) 2022-06-14 — — US disclosed
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides AGENSYS, INC. (US) 2022-04-26 — — 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 (8 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-20250064964-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS ABL1, BCR, CD47 ALDH1A1 205/4885CYP2C9 1235/4885CYP2C19 1222/4885
US-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES DDOST, VIP, THPO ALDH1A1 4511/4885CYP2C9 3715/4885CYP2C19 2321/4885
US-20220305134-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS BCR, ABL1, CD47 ALDH1A1 167/4885CYP2C9 1576/4885CYP2C19 1582/4885
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides DDOST, NGLY1, GRPR ALDH1A1 3977/4885CYP2C9 3984/4885CYP2C19 3809/4885
US-20230129674-A1 EFFICIENT PREPARATION OF DOLASTATIN AND AURISTATIN ANALOGS THROUGH A COMMON INTERMEDIATE AURKC, AURKA, AURKB ALDH1A1 2108/4885CYP2C9 2789/4885CYP2C19 2527/4885
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides VIP, DDOST, DNPEP ALDH1A1 4599/4885CYP2C9 4259/4885CYP2C19 3613/4885
US-11357864-B2 Antibody drug conjugates for ablating hematopoietic stem cells BCR, ABL1, CD47 ALDH1A1 167/4885CYP2C9 1576/4885CYP2C19 1582/4885
US-12171839-B2 Antibody drug conjugates for ablating hematopoietic stem cells BCR, ABL1, CD47 ALDH1A1 167/4885CYP2C9 1576/4885CYP2C19 1582/4885

“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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