Sugi Predict

Sugi Predict / Compounds / SCHEMBL4139599

SCHEMBL4139599

SCHEMBL4139599

O=C(Nc1ccc2ccccc2c1)C(C[PH](=O)O)c1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)sc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 8/20 0.45
▸ MCHR1 Q99705 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34

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
SCHEMBL4132747 0.92 PRSS12 (0.47) PRSS12MCHR1SMN1; SMN2NPC1KMT2A
SCHEMBL998620 0.84 PRSS12 (0.48) PRSS12MCHR1MAPTLMNASMN1; SMN2
SCHEMBL999164 0.79 CMA1 (0.44) MAPTLMNASMN1; SMN2CYP1A2NPC1
SCHEMBL404207 0.77 CMA1 (0.48) PRSS12MAPTLMNAALDH1A1KMT2A
SCHEMBL4132750 0.76 PRSS12 (0.50) PRSS12MCHR1NPC1CMA1
SCHEMBL10260371 0.75 PRSS12 (0.43) PRSS12LMNAKMT2AMAPK14MEN1
SCHEMBL1000592 0.74 SENP5 (0.50) NPC1CMA1
SCHEMBL998624 0.65 CMA1 (0.46) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL942502 0.63 CMA1 (0.63) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL8300501 0.61 DRD4 (0.60) LMNASMN1; SMN2ALDH1A1NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 — — US claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 — — US claimed
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 — — US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 — — US disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 — — 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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 PRSS12 563/4885MCHR1 3263/4885MAPT 3306/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 PRSS12 563/4885MCHR1 3263/4885MAPT 3306/4885

“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.