SCHEMBL21786589

SCHEMBL21786589

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
SLC6A4 P31645 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 3/20 0.36
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
SCN9A Q15858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL21786416 0.93 SLC6A4 (0.41) STIM1ORAI1SLC6A4NPSR1PTPN1
SCHEMBL21786530 0.92 MAPT (0.40) STIM1ORAI1SLC6A4NPSR1MEN1
SCHEMBL21786534 0.92 PTGER1 (0.38) STIM1ORAI1KMT2APTPN1PTPN2
SCHEMBL21786497 0.91 PTGER1 (0.39) STIM1ORAI1SLC6A4NPSR1MEN1
SCHEMBL21786479 0.91 STIM1 (0.36) STIM1ORAI1SLC6A4NPSR1KMT2A
SCHEMBL21786614 0.90 PTGS2 (0.39) NPSR1PTPN1PTPN2PTPN6PTGS1
SCHEMBL21786593 0.88 MRGPRX4 (0.40) STIM1ORAI1SLC6A4NPSR1MEN1
SCHEMBL22791183 0.88 MAPT (0.38) NPSR1MEN1KMT2APTPN1PTPN2
SCHEMBL21786611 0.87 SLC6A4 (0.39) STIM1ORAI1SLC6A4NPSR1PTGS1
SCHEMBL21786465 0.87 SLC6A4 (0.39) STIM1ORAI1SLC6A4NPSR1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115120-A1 COMPOSITIONS, METHODS AND USES OF COMBINATION TREATMENTS FOR BLOOD CANCERS UNIVERSITY OF NEW BRUNSWICK (CA) 2023-04-13 US claimed
EP-4117653-A1 COMPOSITION AND USE OF A CAFFEIC ACID PHENETHYL ESTER (CAPE) COMPOUND TO TREAT CANCER University of New Brunswick (CA) 2023-01-18 EP claimed
US-12630532-B2 Indole-substituted quinolines and their combination with Plk1 inhibitors for the treatment of cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2026-05-19 US disclosed
US-20260132471-A1 GENOMIC BIOMARKERS OF EARLY RECURRENCE IN COLORECTAL CANCER (CRC) FOUNDATION MEDICINE, INC. (US) 2026-05-14 US disclosed
EP-4740951-A2 IGH REARRANGEMENTS AND USES THEREOF Foundation Medicine, Inc. (US) 2026-05-13 EP disclosed
EP-4267767-B1 IGH REARRANGEMENTS AND USES THEREOF FOUND MEDICINE INC (US) 2026-04-01 EP disclosed
EP-4658641-A1 NOVEL COMPOUNDS THAT CAN BE USED AS THERAPEUTIC AGENTS Xeniom GmbH (DE) 2025-12-10 EP disclosed
WO-2025137355-A1 PROXY BINDING FOR SCREENING THERAPEUTIC COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2025-06-26 WO disclosed
WO-2025128887-A1 METHODS AND COMPOSITIONS FOR SELECTIVE ENRICHMENT OF METHYLATION SIGNAL FOUNDATION MEDICINE, INC. (US) 2025-06-19 WO disclosed
US-20250201339-A1 USE OF COMBINED CD274 COPY NUMBER CHANGES AND TMB TO PREDICT RESPONSE TO IMMUNOTHERAPIES FOUNDATION MEDICINE, INC. (US) 2025-06-19 US disclosed
WO-2025122504-A1 ESR1 MUTATIONS, ESR1 CO-OCCURRING MUTATIONS, AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-06-12 WO disclosed
US-20220280590-A1 USE OF INHIBITORS OF YAP AND SOX2 FOR THE TREATMENT OF CANCER GEORGETOWN UNIVERSITY (US) 2022-09-08 US disclosed
WO-2022174234-A2 BIOMARKERS FOR CANCER TREATMENT FOUNDATION MEDICINE, INC. (US) 2022-08-18 WO disclosed
WO-2022147163-A1 ALK FUSION GENES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2022-07-07 WO disclosed
WO-2022140420-A1 IGH REARRANGEMENTS AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2022-06-30 WO disclosed
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (6 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-20230115120-A1 COMPOSITIONS, METHODS AND USES OF COMBINATION TREATMENTS FOR BLOOD CANCERS MYC, SP1, MYCBP STIM1 3752/4885ORAI1 4666/4885SLC6A4 4764/4885
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885SLC6A4 4129/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885SLC6A4 4129/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885SLC6A4 4129/4885
US-12630532-B2 Indole-substituted quinolines and their combination with Plk1 inhibitors for the treatment of cancer PLK1, MYC, PLK4 STIM1 3076/4885ORAI1 3707/4885SLC6A4 1594/4885
US-20260132471-A1 GENOMIC BIOMARKERS OF EARLY RECURRENCE IN COLORECTAL CANCER (CRC) MSH2, MSH6, PMS2 STIM1 2246/4885ORAI1 4517/4885SLC6A4 3563/4885

“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.