SCHEMBL1694690

SCHEMBL1694690

C=CC(NC(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL25292563 0.84 TSHR (0.38) TSHRALDH1A1GAACYP2D6CYP2C19
SCHEMBL25292562 0.84 TSHR (0.38) TSHRALDH1A1GAACYP2D6CYP2C19
SCHEMBL7937539 0.79 TSHR (0.60) TSHRALDH1A1GAACYP2C19
SCHEMBL13049385 0.78 ALDH1A1 (0.33) TSHRALDH1A1GAACYP2D6CYP2C19
SCHEMBL1120061 0.78 ALDH1A1 (0.33) TSHRALDH1A1GAACYP2D6CYP2C19
SCHEMBL3281621 0.78 ALDH1A1 (0.33) TSHRALDH1A1GAACYP2D6CYP2C19
SCHEMBL4111613 0.75
SCHEMBL4111608 0.75
SCHEMBL28251187 0.74 TSHR (0.34) TSHR
SCHEMBL25402816 0.73 GAA (0.33) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 EP claimed
CN-119930509-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-05-06 CN disclosed
CN-119775198-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-04-08 CN disclosed
CN-113226468-B Substituted alkylphenols as HCN1 antagonists 康奈尔大学 2025-03-25 CN disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
WO-2011147828-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2011-12-01 WO disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 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 (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-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B TSHR 3807/4885ALDH1A1 319/4885GAA 292/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B TSHR 3807/4885ALDH1A1 319/4885GAA 292/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC TSHR 4635/4885ALDH1A1 795/4885GAA 134/4885

“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.