SCHEMBL4518140

SCHEMBL4518140

COc1cc(C(=O)OC(C)(C)C)ccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B2 P37059 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL10367375 0.89 MAPT (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5907891 0.88 MTNR1A (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL184552 0.84 MAPT (0.57) MAPTTSHRHSD17B2ALDH1A1KDM4E
SCHEMBL27705109 0.84 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3526985 0.82 CA12 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11700738 0.82 HTR2A (0.43) MAPTTSHRHSD17B2NR1H4ALDH1A1
SCHEMBL12252482 0.81 KDM4E (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11238694 0.81 TSHR (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14859175 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2480129 0.81 STAT3 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2

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
CN-108084077-B Synthetic method of zafirlukast intermediate 江汉大学 2020-04-14 CN disclosed
CN-108084077-A A kind of synthetic method of zafirlukast intermediate 江汉大学 2018-05-29 CN disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-0290145-B1 Aliphatic carboxamides ICI AMERICA INC (US) 1994-10-26 EP disclosed
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
EP-0242167-B1 HETEROCYCLIC CARBOXAMIDES ICI AMERICAS INC. (US) 1991-11-27 EP disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
US-4898863-A Heterocyclic carboxamides ICI AMERICAS INC. (US) 1990-02-06 US disclosed
US-4894386-A ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1990-01-16 US disclosed
CN-1030910-A ALIPHATIC CARBOXAMIDEX ICI AMERICA INC (US) 1989-02-08 CN disclosed
EP-0290145-A1 Aliphatic carboxamides ZENECA INC. (US) 1988-11-09 EP disclosed
EP-0242167-A2 Heterocyclic carboxamides ICI AMERICAS INC. (US) 1987-10-21 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 GABRA1 3031/4885GABRG2 3579/4885GABRB3 2794/4885

“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.