Sugi Predict

Sugi Predict / Compounds / SCHEMBL354746

SCHEMBL354746

SCHEMBL354746

COC(=O)c1ccc2c(c1)CCC(CCc1cccc(F)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ S1PR1 P21453 3/20 0.42
▸ SGPL1 O95470 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PPM1D O15297 1/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL353350 0.86 HDAC8 (0.51) MCHR1MAOAMAOB
SCHEMBL6195819 0.77 MCHR1 (0.45) MEN1KMT2AMCHR1
SCHEMBL6195823 0.77 MCHR1 (0.45) MEN1KMT2AMCHR1
SCHEMBL4685289 0.74 CYP4F2 (0.66) MRGPRX4CYP4F2CYP4A11MAPTRAB9A
SCHEMBL25980248 0.71 CYP4A11 (0.61) MRGPRX4CYP4F2CYP4A11MAPTMEN1
SCHEMBL353154 0.70 CHRNB2 (0.44) MAPTMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL20608510 0.70 CYP4A11 (0.60) MRGPRX4CYP4F2CYP4A11MAPTMEN1
SCHEMBL5548043 0.70 DRD2 (0.45) MEN1KMT2AMCHR1
SCHEMBL10247360 0.69 S1PR1 (0.41) S1PR1SGPL1MCHR1
SCHEMBL353908 0.69 OPRK1 (0.54) —

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — 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 (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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MRGPRX4 3648/4885CYP4F2 3686/4885CYP4A11 3746/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MRGPRX4 2001/4885CYP4F2 2879/4885CYP4A11 2940/4885

“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.