Sugi Predict

Sugi Predict / Compounds / SCHEMBL1337542

SCHEMBL1337542

SCHEMBL1337542

CNCCCCn1c(C(=O)OC)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ FSCN1 Q16658 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL1336931 0.92 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL1335818 0.92 AKR1B1 (0.36) MEN1KMT2AAKR1B1FSCN1PDPK1
SCHEMBL1338069 0.92 MEN1 (0.34) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL4478160 0.86 MEN1 (0.39) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL1336269 0.85 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL1337964 0.83 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL4501801 0.79 AKR1B1 (0.35) SMN1; SMN2KMT2AAKR1B1LMNAMAPT
SCHEMBL5446552 0.79 POLB (0.38) AKR1B1FSCN1WDR5
SCHEMBL4477879 0.79 MEN1 (0.38) SMN1; SMN2MEN1KMT2AAKR1B1LMNA
SCHEMBL4483837 0.78 AKR1B1 (0.36) AKR1B1FSCN1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 — — EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 — — US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 — — US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 — — US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 — — US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 — — US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 — — US disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 — — EP disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 — — WO 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 (4 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H SMN1; SMN2 4045/4885MEN1 3932/4885KMT2A 1009/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI SMN1; SMN2 4132/4885MEN1 3937/4885KMT2A 1068/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI SMN1; SMN2 4132/4885MEN1 3937/4885KMT2A 1068/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI SMN1; SMN2 4132/4885MEN1 3937/4885KMT2A 1068/4885

“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.