SCHEMBL16828624

SCHEMBL16828624

O=C(O)Cc1ccc(OC(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRK6 P43250 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ RORC P51449 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
SCHEMBL16853377 0.88 SMN1; SMN2 (0.37) MBOAT4MRGPRX4FFAR1SMN1; SMN2CYP4F2
SCHEMBL28028553 0.83 CACNA1I (0.44) MRGPRX4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10415286 0.80 ABL1 (0.42) MBOAT4EPHX2NPC1RAB9AL3MBTL1
SCHEMBL2435333 0.78 KDM4E (0.50) PTGDR2FFAR1SMN1; SMN2PTGS1PTGS2
SCHEMBL10817490 0.78 GABRP (0.40) FFAR1CYP4F2CYP4A11KMT2A
SCHEMBL28028513 0.78 KMT2A (0.46) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL27847702 0.77 ATM (0.44) MBOAT4MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL30106088 0.77 ATM (0.44) MBOAT4MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL5104455 0.77 KMT2A (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17653965 0.77 KDM4E (0.49) PTGDR2FFAR1SMN1; SMN2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 — — US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 — — US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
EP-3083602-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2016-10-26 — — EP disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 — — WO disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 — — WO disclosed
CN-103221408-A Triazine-oxadiazole compounds NOVARTIS AG 2013-07-24 — — CN 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 MBOAT4 1709/4885SHMT2 1961/4885PTGDR2 1796/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 MBOAT4 3611/4885SHMT2 125/4885PTGDR2 1163/4885

“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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