SCHEMBL3504063

SCHEMBL3504063

CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.55
CA1 P00915 2/20 0.48
CA2 P00918 1/20 0.48
SIRT5 Q9NXA8 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
AR P10275 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41

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
SCHEMBL3504066 1.00 MAP2K1 (0.55) MAP2K1CA1CA2SIRT5CA12
SCHEMBL14637359 0.94 CA1 (0.56) MAP2K1CA1CA2SIRT5CA12
SCHEMBL3204645 0.89 CA1 (0.61) CA1CA2SIRT5CA12CA9
SCHEMBL29550379 0.89 CA1 (0.61) CA1CA2SIRT5CA12CA9
SCHEMBL12841581 0.85 CA9 (0.50) MAP2K1CA1CA2CA12CA9
SCHEMBL29396685 0.84 CA1 (0.58) CA1CA2SIRT5CA12CA9
SCHEMBL30453914 0.84 CA1 (0.58) CA1CA2SIRT5CA12CA9
Bromide SCHEMBL7547474 0.84 MAP1LC3B (0.46) MAP2K1CA1CA12CA9ALDH1A1
SCHEMBL16383357 0.81 CA1 (0.63) CA1CA2SIRT5CA12CA9
SCHEMBL13853068 0.79 CA1 (0.48) CA1CA2SIRT5CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12408605-B2 Haploid embryogenesis STICHTING WAGENINGEN RESEARCH (NL) 2025-09-09 US disclosed
EP-3151920-B1 USE OF INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS IN HIV THERAPY SANFORD BURNHAM MED RES INST (US) 2025-08-06 EP disclosed
US-12324817-B2 Method of inducing dedifferentiation of somatic cells with small molecules to prepare rejuvenated mesenchymal stem cells and uses thereof Shenzhen Alpha Biopharmaceutical Co. Ltd. (CN) 2025-06-10 US disclosed
CN-119670345-A Battery temperature prediction method, device, medium and battery system 联合汽车电子有限公司 2025-03-21 CN disclosed
CN-118006541-B Method for dedifferentiating, transdifferentiating and rejuvenating target cells 云南济慈再生医学研究院有限公司 2024-10-18 CN disclosed
CN-118006541-A Method for dedifferentiating, transdifferentiating and rejuvenating target cells 云南济慈再生医学研究院有限公司 2024-05-10 CN disclosed
CN-117887659-A Method for promoting differentiation of target cells into nerve cells 云南济慈再生医学研究院有限公司 2024-04-16 CN disclosed
CN-110423719-B Technology for regulating Jak-Stat pathway to differentiate, dedifferentiate and rejuvenate cells and application thereof 云南济慈再生医学研究院有限公司 2024-02-27 CN disclosed
CN-110423721-B Preparation method and application of younger repair type fibroblast 云南济慈再生医学研究院有限公司 2024-02-27 CN disclosed
US-20240019441-A1 SETDB1-MICROTUBULE INTERACTION AND USE THEREOF Ariel Scientific Innovations Ltd. (IL) 2024-01-18 US disclosed
US-20190192521-A1 Methods of Treating Arid1A-Mutated Cancers With HDAC6 Inhibitors and EZH2 Inhibitors WISTAR INST (US) 2019-06-27 US disclosed
US-20180213736-A1 METHOD FOR PRODUCING HAPLOID, DIHAPLOID AND DOUBLED HAPLOID PLANTS BY ISOLATED MICROSPORE CULTURE VILMORIN & CIE (FR) 2018-08-02 US disclosed
WO-2018034801-A1 METHODS OF TREATING ARID1A-MUTATED CANCERS WITH HDAC6 INHIBITORS AND EZH2 INHIBITORS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-02-22 WO disclosed
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-9512083-B2 Histone deacetylase 6 selective inhibitors for the treatment of bone disease THE GENERAL HOSPITAL CORPORATION (US) 2016-12-06 US disclosed
US-20160212956-A1 HAPLOID EMBRYOGENESIS STICHTING WAGENINGEN RESEARCH (NL) 2016-07-28 US disclosed
US-20140378385-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease THE GENERAL HOSPITAL CORPORATION (US) 2014-12-25 US disclosed
EP-2734500-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE The General Hospital Corporation (US) 2014-05-28 EP disclosed
WO-2013013113-A2 HISTONE DEACETYLASE 6 SELECTIVE INHIBITORS FOR THE TREATMENT OF BONE DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-01-24 WO disclosed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 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-20140378385-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease HDAC1, HDAC6, HDAC9 MAP2K1 1721/4885CA1 2106/4885CA2 2034/4885
US-20190192521-A1 Methods of Treating Arid1A-Mutated Cancers With HDAC6 Inhibitors and EZH2 Inhibitors EZH2, HDAC6, HDAC1 MAP2K1 2003/4885CA1 1212/4885CA2 2170/4885
US-20170305866-A1 Histone Deacetylase 6 Selective Inhibitors for the Treatment of Bone Disease HDAC1, HDAC6, HDAC9 MAP2K1 1721/4885CA1 2106/4885CA2 2034/4885

“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.