SCHEMBL616934

SCHEMBL616934

CC(O)c1cc(C(=O)O)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.42
GRM1 Q13255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTPRC P08575 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 3/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TTR P02766 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3203499 0.87 ACE2 (0.51) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL30848060 0.85 ACE2 (0.46) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL29171910 0.85 ACE2 (0.46) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL7768437 0.82 ACE2 (0.50) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL3893604 0.81 PTPRC (0.43) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL2312050 0.81 HTT (0.41) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL15877839 0.81 NOTUM (0.50) TDP1KMT2AMEN1HTTHPGD
SCHEMBL4577143 0.79 ACE2 (0.56) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL9068206 0.79 KDM4E (0.55) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL31401118 0.79 GRM1 (0.50) ACE2GRM1TDP1KMT2AMEN1

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 21 patents — showing the first 20. 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
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US 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
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
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP 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
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP 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
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
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (8 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 ACE2 3139/4885GRM1 4125/4885TDP1 1174/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 ACE2 3139/4885GRM1 4125/4885TDP1 1174/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ACE2 176/4885GRM1 4668/4885TDP1 2393/4885

“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.