SCHEMBL15412131

SCHEMBL15412131

CC(C)(C)[Si](C)(C)OC1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(=O)CBr)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 7/20 0.64
▸ CYP3A4 P08684 3/20 0.51
▸ PMP22 Q01453 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ CYP2D6 P10635 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL25186704 0.88 GRIN1 (0.65) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL15672787 0.88 GRIN1 (0.65) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL15412346 0.88 GRIN1 (0.65) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL25189601 0.88 GRIN1 (0.65) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL3118670 0.88 GRIN1 (0.65) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL12478797 0.84 G6PD (0.61) G6PDCYP3A4PMP22KMT2ACYP1A2
SCHEMBL25326883 0.83 LMNA (0.59) CYP3A4KMT2ACYP1A2CYP2C9TSHR
SCHEMBL25323572 0.83 LMNA (0.59) CYP3A4KMT2ACYP1A2CYP2C9TSHR
SCHEMBL25322998 0.83 LMNA (0.59) CYP3A4KMT2ACYP1A2CYP2C9TSHR
SCHEMBL25912307 0.83 LMNA (0.59) CYP3A4KMT2ACYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160317556-A1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE S.E.C. 2016-11-03 — — US claimed
US-10716797-B2 Steroid alkaloids and compositions and kits thereof SOCPRA SCIENCES ET GÉNIE S.E.C. (CA) 2020-07-21 — — US disclosed
US-20190008875-A1 STEROID ALKALOIDS AND COMPOSITIONS AND KITS THEREOF UNIVERSITé DE SHERBROOKE (CA) 2019-01-10 — — US disclosed
US-10137137-B2 ATP synthase inhibitors and steroid alkaloids and uses thereof as antimicrobial agents and as potentiators for aminoglycosides against pathogenic bacteria SOCPRA SCIENCES ET GENIE S.E.C. (CA) 2018-11-27 — — US disclosed
US-20160317556-A1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE S.E.C. 2016-11-03 — — US disclosed
US-9457033-B2 Steroid alkaloids and uses thereof as antimicrobial agents against electron transport-deficient microbes and as potentiators for antimicrobial agents against pathogenic bacteria SOCPRA SCIENCES ET GENIE, S.E.C. (CA) 2016-10-04 — — US disclosed
US-20140018312-A1 STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA SOCPRA SCIENCES ET GENIE, S.E.C. (CA) 2014-01-16 — — 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 (5 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-20140018312-A1 STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA TOMM70, TIMM50, TIMM10 G6PD 1199/4885CYP3A4 1222/4885PMP22 1785/4885
US-20160317556-A1 ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA ATP5ME, ATP5MG, ATP5F1A G6PD 438/4885CYP3A4 506/4885PMP22 3125/4885
US-20190008875-A1 STEROID ALKALOIDS AND COMPOSITIONS AND KITS THEREOF ATP5ME, ATP5MG, ATP5F1A G6PD 1321/4885CYP3A4 405/4885PMP22 3245/4885
US-10137137-B2 ATP synthase inhibitors and steroid alkaloids and uses thereof as antimicrobial agents and as potentiators for aminoglycosides against pathogenic bacteria ATP5ME, ATP5MG, ATP5F1A G6PD 438/4885CYP3A4 506/4885PMP22 3125/4885
US-10716797-B2 Steroid alkaloids and compositions and kits thereof ATP5ME, ATP5MG, ATP5F1A G6PD 1321/4885CYP3A4 405/4885PMP22 3245/4885

“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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