SCHEMBL21767405

SCHEMBL21767405

O=C(O)Cc1cc(F)ccc1[C@H]1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CFTR P13569 1/20 0.37
PRKAG1 P54619 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36

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
SCHEMBL21767595 1.00 PTGDR2 (0.40) PTGDR2TSHRCYP1A2GAACYP2C9
SCHEMBL21767407 1.00 PTGDR2 (0.40) PTGDR2TSHRCYP1A2GAACYP2C9
SCHEMBL31072015 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL29429452 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL21767420 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL21767551 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL21780595 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL31071934 0.85 CFTR (0.42) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL21767410 0.81 CFTR (0.45) CYP1A2GAACYP2C9HPGDCYP2C19
SCHEMBL31071992 0.81 CFTR (0.45) CYP1A2GAACYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 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 (6 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-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PTGDR2 1758/4885TSHR 2465/4885CYP1A2 4753/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PTGDR2 1758/4885TSHR 2465/4885CYP1A2 4753/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PTGDR2 1758/4885TSHR 2465/4885CYP1A2 4753/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PTGDR2 1758/4885TSHR 2465/4885CYP1A2 4753/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV PTGDR2 2222/4885TSHR 2291/4885CYP1A2 4794/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV PTGDR2 2222/4885TSHR 2291/4885CYP1A2 4794/4885

“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.