SCHEMBL21821393

SCHEMBL21821393

O=S1(=O)N=C(Cl)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.41
S100A4 P26447 1/20 0.36
CXCR2 P25025 2/20 0.35
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPRC P08575 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 2/20 0.32

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
SCHEMBL30808271 1.00 EPAS1 (0.41) EPAS1S100A4CXCR2ALDH1A1NPC1
SCHEMBL4901718 0.85 EPAS1 (0.38) EPAS1S100A4CXCR2ALDH1A1NPC1
SCHEMBL10691413 0.81 CHEK1 (0.46) S100A4ALDH1A1NPC1LMNACYP1A2
SCHEMBL18064328 0.78 EPAS1 (0.41) EPAS1S100A4LMNAALOX5CA1
SCHEMBL10810832 0.78 ALDH1A1 (0.36) CXCR2ALDH1A1LMNACYP1A2CYP3A4
Water SCHEMBL20531414 0.76 ALDH1A1 (0.35) CXCR2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL10692092 0.74 NPC1 (0.43) ALDH1A1NPC1CYP1A2PTGESALOX5
SCHEMBL10911044 0.73 PTGES (0.48) S100A4ALDH1A1NPC1SMN1; SMN2PTPRC
SCHEMBL21839411 0.71 CXCR2 (0.33) CXCR2
SCHEMBL30885705 0.71 ALDH1A1 (0.44) EPAS1CXCR2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP disclosed
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3632908-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2020-04-08 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN 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-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 EPAS1 761/4885S100A4 1990/4885CXCR2 2023/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 EPAS1 761/4885S100A4 1990/4885CXCR2 2023/4885
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 EPAS1 269/4885S100A4 590/4885CXCR2 3071/4885

“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.