SCHEMBL538349

SCHEMBL538349

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.63
PI4KB Q9UBF8 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5023750 0.88 LCK (0.60) LCKPI4KBALDH1A1CA1CA2
SCHEMBL24735699 0.88 LCK (0.63) LCKALDH1A1TSHRNPC1
SCHEMBL539568 0.87 LCK (0.62) LCKPKMALDH1A1TSHRHPGD
SCHEMBL773470 0.84 LCK (0.66) LCKPI4KBALDH1A1CA1CA2
SCHEMBL4605012 0.84 ALDH1A1 (0.69) LCKALDH1A1HPGDNPC1
SCHEMBL8553256 0.84 LCK (0.59) LCKPKMTDP1ALDH1A1TSHR
SCHEMBL16753973 0.84 LCK (0.53) LCKPI4KBCA1CA2
SCHEMBL12056453 0.84 LCK (0.53) LCKPI4KBCA1CA2
SCHEMBL31661292 0.83 LCK (0.59) LCKPI4KBALDH1A1CA1CA2
SCHEMBL24735744 0.83 LCK (0.58) LCKPI4KBALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 US disclosed
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 US disclosed
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-24 US disclosed
CN-107001339-A Novel compounds 特殊治疗有限公司 2017-08-01 CN disclosed
EP-2948442-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
CN-104844578-A 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS NEUROGEN CORP 2015-08-19 CN disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN disclosed
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
EP-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 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 (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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 LCK 2046/4885PI4KB 2097/4885PKM 4217/4885
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 LCK 1544/4885PI4KB 7/4885PKM 3062/4885
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES GABRA5, GABRA3, GABRA1 LCK 4291/4885PI4KB 3871/4885PKM 1134/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 LCK 3733/4885PI4KB 3134/4885PKM 2220/4885

“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.