SCHEMBL538784

SCHEMBL538784

CCOC(=O)C(=O)ON1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.50
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.38

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
SCHEMBL3822896 0.84 L3MBTL1 (0.41) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL28208469 0.80 SMN1; SMN2 (0.51) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL3134348 0.76 TSHR (0.41) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL29200488 0.76 HSD17B10 (0.40) TSHRALDH1A1LMNARAB9AMAPT
Tetrahydrofuran SCHEMBL26646373 0.76 TSHR (0.50) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL15531738 0.76 TSHR (0.67) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL10787532 0.75 ALDH1A1 (0.62) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL2963308 0.75 TSHR (0.46) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL27752483 0.74 ALDH1A1 (0.47) TSHRALDH1A1LMNARAB9AMAPT
SCHEMBL3129798 0.74 TSHR (0.39) TSHRALDH1A1LMNARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428473-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2016-08-30 US disclosed
CN-105732538-A Cobicistat pamoic acid salt and preparation method therefor, drug composition and application 杭州普晒医药科技有限公司 2016-07-06 CN disclosed
EP-3009434-A1 METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED GILEAD SCIENCES, INC. (US) 2016-04-20 EP disclosed
US-20160002186-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2016-01-07 US disclosed
CN-104876888-A Methods And Intermediates For Preparing Pharmaceutical Agents GILEAD SCIENCES INC 2015-09-02 CN disclosed
EP-2414325-B1 METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED. GILEAD SCIENCES INC (US) 2015-08-26 EP disclosed
US-9115100-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
CN-102438982-B process for the preparation of cytochrome P450 monooxygenase inhibitors and intermediates involved GILEAD SCIENCES INC 2015-05-06 CN disclosed
US-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2015-01-01 US disclosed
US-8853210-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2014-10-07 US disclosed
US-20140088304-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2014-03-27 US disclosed
US-8497396-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2013-07-30 US disclosed
CN-102438982-A Process for the preparation of cytochrome P450 monooxygenase inhibitors and intermediates involved GILEAD SCIENCES INC 2012-05-02 CN disclosed
EP-2414325-A2 METHOD OF PREPARING AN INHIBITOR OF CYTOCHROME P450 MONOOXYGENASE, AND INTERMEDIATES INVOLVED Gilead Sciences, Inc. (US) 2012-02-08 EP disclosed
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. 2010-10-07 US disclosed
WO-2010115000-A2 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2010-10-07 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 (4 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-20150005493-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 TSHR 4139/4885ALDH1A1 160/4885LMNA 1297/4885
US-20100256366-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 TSHR 4139/4885ALDH1A1 160/4885LMNA 1297/4885
US-20140088304-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 TSHR 4139/4885ALDH1A1 160/4885LMNA 1297/4885
US-20160002186-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 TSHR 4139/4885ALDH1A1 160/4885LMNA 1297/4885

“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.