SCHEMBL5075951

SCHEMBL5075951

CC(C)(C)OC(=O)C1(Cl)CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PPARA Q07869 1/20 0.34
DGAT1 O75907 1/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 1/20 0.30

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
SCHEMBL5077796 0.85 MAPK1 (0.37) LMNACYP2C9TSHRBLMPPARA
SCHEMBL8018805 0.80 APLNR (0.32) CYP2C9MEN1KMT2AAPLNR
SCHEMBL7567670 0.78 BTK (0.37) BTKMAPK1MEN1KMT2AAPLNR
SCHEMBL3675536 0.76 MAPK1 (0.33) LMNACYP2C9TSHRBLMPPARA
SCHEMBL19585884 0.76 BTK (0.35) BTKCYP2C9MAPK1MEN1KMT2A
SCHEMBL8466617 0.74 DGAT1 (0.38) DGAT1MAPK1MEN1KMT2A
SCHEMBL9018584 0.72 GRM4 (0.41) LMNACYP2C9TSHRMEN1KMT2A
SCHEMBL1706674 0.69 MAPK1 (0.40) LMNACYP2C9TSHRBLMPPARA
SCHEMBL7099129 0.69 ALDH1A1 (0.47) BTKLMNACYP2C9TSHRMEN1
SCHEMBL7219863 0.69 ALDH1A1 (0.47) BTKLMNACYP2C9TSHRMEN1

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
EP-1731499-B1 PROCESS FOR PRODUCING 1,2-CIS-2-FLUOROCYCLOPROPANE-1-CARBOXYLIC ESTER COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
CN-1930112-B Process for producing 1,2-cis-2-fluorocyclopropane-1carboxylic esters DAIICHI SEIYAKU CO 2010-06-23 CN disclosed
US-7381833-B2 Process for producing 1,2-cis-2-fluorocyclopropane-1-carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD (JP) 2007-08-16 US disclosed
US-7199260-B2 Process for reductive dehalogenation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-04-03 US disclosed
CN-1930112-A Process for producing 1,2-cis-2-fluorocyclopropane-1carboxylic ester compound DAIICHI SEIYAKU CO (JP) 2007-03-14 CN disclosed
EP-1731499-A1 PROCESS FOR PRODUCING 1,2-CIS-2-FLUOROCYCLOPROPANE-1­CARBOXYLIC ESTER COMPOUND DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP disclosed
US-20060052626-A1 Process for reductive dehaloganation DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-09 US disclosed
EP-1582513-A1 PROCESS FOR REDUCTIVE DEHALOGENATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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 (2 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-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound HACL2, B2M, CA1 BTK 2532/4885LMNA 1302/4885CYP2C9 1932/4885
US-20060052626-A1 Process for reductive dehaloganation IDUA, CYP2F1, DEK BTK 3334/4885LMNA 2835/4885CYP2C9 46/4885

“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.