SCHEMBL139860

SCHEMBL139860

COC(=O)[C@H](CO)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KYNU Q16719 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MMP8 P22894 1/20 0.44

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
SCHEMBL139859 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Ammonia Solution, Strong SCHEMBL28148323 0.98 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6473025 0.87 MMP8 (0.55) ALDH1A1CTSBCTRB1TRPM8ALOX15
SCHEMBL28038097 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
SCHEMBL27696619 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
Hydrochloric Acid SCHEMBL4263030 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
Hydrochloric Acid SCHEMBL4263027 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
SCHEMBL27454064 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
SCHEMBL15177646 0.83 HTT (0.49) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
Ammonia Solution, Strong SCHEMBL27854372 0.81 ALDH1A1 (0.51) ALDH1A1CYP2C9CYP2C19KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE PFIZER IRELAND PHARMACEUTICALS 2024-12-12 — — US disclosed
EP-4284505-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE Pfizer Ireland Pharmaceuticals (IE) 2023-12-06 — — EP disclosed
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 — — US disclosed
EP-4076395-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-10-26 — — EP disclosed
CN-114980862-A Intranasal pharmaceutical compositions of CGRP inhibitors 拜尔哈文制药股份有限公司 2022-08-30 — — CN disclosed
WO-2022165291-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-08-04 — — WO disclosed
WO-2021127070-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2021-06-24 — — WO disclosed
EP-2552906-B1 CGRP RECEPTOR ANTAGONIST BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
CN-102834388-B Cgrp receptor antagonist BRISTOL MYERS SQUIBB CO 2014-07-16 — — CN disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 — — US disclosed
EP-2552906-A1 CGRP RECEPTOR ANTAGONIST Bristol-Myers Squibb Company (US) 2013-02-06 — — EP disclosed
CN-102834388-A Cgrp receptor antagonist BRISTOL MYERS SQUIBB CO 2012-12-19 — — CN disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
WO-2011123232-A1 CGRP RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — US disclosed
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY 2006-06-08 — — US disclosed
WO-2006060678-A2 NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-08 — — 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-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS CALCA, CALCB, CALCRL ALDH1A1 2986/4885THRB 2849/4885CYP2C9 1900/4885
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE CALCA, CALCB, CALCRL ALDH1A1 2302/4885THRB 2496/4885CYP2C9 1601/4885
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof CALCR, CALCRL, CALCB ALDH1A1 2702/4885THRB 290/4885CYP2C9 1820/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR ALDH1A1 1718/4885THRB 1001/4885CYP2C9 1906/4885

“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.

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