SCHEMBL26690953

SCHEMBL26690953

CCCCCCCCCOc1ccc(-c2noc(CCCNC(=O)O)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ S1PR2 O95136 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ LPAR2 Q9HBW0 1/20 0.43
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL29496326 0.89 MAPK1 (0.43) TSHRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL26691054 0.88 SPHK2 (0.50) TSHRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL26690866 0.85 TSHR (0.47) TSHRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL26690924 0.84 MITF (0.55) HPGDL3MBTL1LMNAMAPTTDP1
Hydrochloric Acid SCHEMBL26691051 0.83 LMNA (0.48) TSHRHPGDSMN1; SMN2MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL29496319 0.83 LMNA (0.48) TSHRHPGDSMN1; SMN2MAPK1L3MBTL1
SCHEMBL26691005 0.79 SPHK1 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL29496285 0.78 SPHK2 (0.49) TSHRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL26690956 0.78 S1PR2 (0.53) HPGDL3MBTL1MAPTS1PR2S1PR1
SCHEMBL26691057 0.78 TSHR (0.52) TSHRHPGDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-11-23 — — US 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 (1 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-20230373937-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY SPNS2, SPCS2, SMN1; SMN2 TSHR 3520/4885HPGD 3165/4885CYP1A2 3775/4885

“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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