SCHEMBL3001813

SCHEMBL3001813

COC(=O)c1ccc(C#CC=CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ TSHR P16473 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL3001807 1.00 PTPN11 (0.50) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL28642418 0.81 ALDH1A1 (0.55) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL13245227 0.81 PTPN11 (0.48) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL69268 0.80 PTPN11 (0.69) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL29246790 0.80 PTPN11 (0.53) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL3023006 0.79 TSHR (0.50) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL3017576 0.79 PTPN11 (0.46) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL3023009 0.79 TSHR (0.50) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL3017579 0.79 PTPN11 (0.46) PTPN11ALDH1A1CA1CA2TDP1
SCHEMBL13245292 0.79 PTPN11 (0.51) PTPN11ALDH1A1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 — — EP disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 — — US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
US-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 — — US disclosed
US-9073821-B2 Hydroxamic acid derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-07-07 — — US disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 — — US disclosed
EP-2562155-A1 NOVEL HYDROXAMIC ACID DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-02-27 — — EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — 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 (4 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-20150225335-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 PTPN11 926/4885ALDH1A1 2205/4885CA1 2188/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PTPN11 3418/4885ALDH1A1 687/4885CA1 4310/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PTPN11 3418/4885ALDH1A1 687/4885CA1 4310/4885
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 PTPN11 926/4885ALDH1A1 2205/4885CA1 2188/4885

“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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