Sugi Predict

Sugi Predict / Compounds / SCHEMBL616964

SCHEMBL616964

SCHEMBL616964

C=CC(CC)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41

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
SCHEMBL27617143 0.84 ALDH1A1 (0.51) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27517147 0.84 ALDH1A1 (0.51) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27758297 0.83 ALDH1A1 (0.50) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27712313 0.83 ALDH1A1 (0.50) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL614051 0.80 ALDH1A1 (0.55) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL27397144 0.80 ALDH1A1 (0.55) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL16347333 0.80 HCAR2 (0.56) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL766470 0.79 ATM (0.45) ALDH1A1TDP1L3MBTL1KMT2ATSHR
SCHEMBL6050113 0.78 ALDH1A1 (0.56) ALDH1A1HCAR2TDP1MAPK1L3MBTL1
SCHEMBL8436634 0.78 ALDH1A1 (0.60) ALDH1A1HCAR2TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 — — US disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 — — CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 — — US disclosed
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 — — WO disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 — — US 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
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 (7 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 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 2393/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885HCAR2 1514/4885TDP1 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.